1,3-thiazol-5-ylmethyl N-[5-[[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;bis(1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate)

C168H203F6N39O19S8 — CID 160983141

About 1,3-thiazol-5-ylmethyl N-[5-[[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;bis(1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate)

1,3-thiazol-5-ylmethyl N-[5-[[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;bis(1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate) (PubChem CID 160983141) has the molecular formula C168H203F6N39O19S8 and a molecular weight of 3443.25 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-[5-[[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;bis(1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate).

Molecular Properties

• Compound Name: 1,3-thiazol-5-ylmethyl N-[5-[[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;bis(1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate)
• PubChem CID: 160983141
• Molecular Formula: C168H203F6N39O19S8
• Molecular Weight: 3443.25 g/mol
• Exact Mass: 3440.38
• IUPAC Name: 1,3-thiazol-5-ylmethyl N-[5-[[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;bis(1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate)
• SMILES: CC(C)c1nc(CN(C)C(=O)NC(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCn3cncc3C2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.Cc1nnc2n1CCN(C(=O)CC(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)NC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1)C2
• InChI: InChI=1S/2C42H49F3N10O5S2.C42H52N10O5S2.C42H53N9O4S2/c2*1-27(2)38-48-32(25-61-38)22-53(3)40(58)50-34(20-36(56)54-16-17-55-35(23-54)51-52-39(55)42(43,44)45)37(57)47-30(18-28-10-6-4-7-11-28)14-15-31(19-29-12-8-5-9-13-29)49-41(59)60-24-33-21-46-26-62-33;1-28(2)40-45-34(26-58-40)23-50(4)41(55)47-36(21-38(53)51-17-18-52-29(3)48-49-37(52)24-51)39(54)44-32(19-30-11-7-5-8-12-30)15-16-33(20-31-13-9-6-10-14-31)46-42(56)57-25-35-22-43-27-59-35;1-30(2)40-46-35(27-56-40)24-49(3)41(53)48-38(16-17-50-18-19-51-28-43-22-36(51)25-50)39(52)45-33(20-31-10-6-4-7-11-31)14-15-34(21-32-12-8-5-9-13-32)47-42(54)55-26-37-23-44-29-57-37/h2*4-13,21,25-27,30-31,34H,14-20,22-24H2,1-3H3,(H,47,57)(H,49,59)(H,50,58);5-14,22,26-28,32-33,36H,15-21,23-25H2,1-4H3,(H,44,54)(H,46,56)(H,47,55);4-13,22-23,27-30,33-34,38H,14-21,24-26H2,1-3H3,(H,45,52)(H,47,54)(H,48,53)
• InChIKey: SZTVHFIBKIWVGO-UHFFFAOYSA-N
• XLogP: 24.63
• TPSA: 676.32 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 47
• Rotatable Bonds: 73
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3443.25
LogP ≤ 5	24.63
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-[5-[[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;bis(1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate)?

The IUPAC name of 1,3-thiazol-5-ylmethyl N-[5-[[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;bis(1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate) (CID 160983141) is 1,3-thiazol-5-ylmethyl N-[5-[[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;bis(1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate).

What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-[5-[[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;bis(1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate)?

The canonical SMILES for 1,3-thiazol-5-ylmethyl N-[5-[[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;bis(1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate) is CC(C)c1nc(CN(C)C(=O)NC(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.CC(C)c1nc(CN(C)C(=O)NC(CCN2CCn3cncc3C2)C(=O)NC(CCC(Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1.Cc1nnc2n1CCN(C(=O)CC(NC(=O)N(C)Cc1csc(C(C)C)n1)C(=O)NC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1)C2.

What is the InChIKey of 1,3-thiazol-5-ylmethyl N-[5-[[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;bis(1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate)?

The InChIKey is SZTVHFIBKIWVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H49F3N10O5S2.C42H52N10O5S2.C42H53N9O4S2/c2*1-27(2)38-48-32(25-61-38)22-53(3)40(58)50-34(20-36(56)54-16-17-55-35(23-54)51-52-39(55)42(43,44)45)37(57)47-30(18-28-10-6-4-7-11-28)14-15-31(19-29-12-8-5-9-13-29)49-41(59)60-24-33-21-46-26-62-33;1-28(2)40-45-34(26-58-40)23-50(4)41(55)47-36(21-38(53)51-17-18-52-29(3)48-49-37(52)24-51)39(54)44-32(19-30-11-7-5-8-12-30)15-16-33(20-31-13-9-6-10-14-31)46-42(56)57-25-35-22-43-27-59-35;1-30(2)40-46-35(27-56-40)24-49(3)41(53)48-38(16-17-50-18-19-51-28-43-22-36(51)25-50)39(52)45-33(20-31-10-6-4-7-11-31)14-15-34(21-32-12-8-5-9-13-32)47-42(54)55-26-37-23-44-29-57-37/h2*4-13,21,25-27,30-31,34H,14-20,22-24H2,1-3H3,(H,47,57)(H,49,59)(H,50,58);5-14,22,26-28,32-33,36H,15-21,23-25H2,1-4H3,(H,44,54)(H,46,56)(H,47,55);4-13,22-23,27-30,33-34,38H,14-21,24-26H2,1-3H3,(H,45,52)(H,47,54)(H,48,53).

What are the key properties of 1,3-thiazol-5-ylmethyl N-[5-[[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;bis(1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate)?

1,3-thiazol-5-ylmethyl N-[5-[[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;bis(1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate) has a molecular weight of 3443.25 g/mol, XLogP of 24.63, 73 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-thiazol-5-ylmethyl N-[5-[[4-(6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[5-[[4-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxobutanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;bis(1,3-thiazol-5-ylmethyl N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate) is sourced from PubChem (CID 160983141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).