5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-methyl-5-[2-(2-oxopropyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfanyl]acetamide;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one;2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-(1-methyl-5-methylidenepyrrolidin-3-yl)ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

C103H113Cl3N22O10S13 — CID 160565616

About 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-methyl-5-[2-(2-oxopropyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfanyl]acetamide;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one;2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-(1-methyl-5-methylidenepyrrolidin-3-yl)ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-methyl-5-[2-(2-oxopropyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfanyl]acetamide;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one;2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-(1-methyl-5-methylidenepyrrolidin-3-yl)ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (PubChem CID 160565616) has the molecular formula C103H113Cl3N22O10S13 and a molecular weight of 2342.41 g/mol. Its IUPAC name is 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-methyl-5-[2-(2-oxopropyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfanyl]acetamide;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one;2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-(1-methyl-5-methylidenepyrrolidin-3-yl)ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-methyl-5-[2-(2-oxopropyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfanyl]acetamide;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one;2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-(1-methyl-5-methylidenepyrrolidin-3-yl)ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
• PubChem CID: 160565616
• Molecular Formula: C103H113Cl3N22O10S13
• Molecular Weight: 2342.41 g/mol
• Exact Mass: 2338.44
• IUPAC Name: 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-methyl-5-[2-(2-oxopropyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfanyl]acetamide;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one;2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-(1-methyl-5-methylidenepyrrolidin-3-yl)ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
• SMILES: C=C1CC(C(=O)Cc2nc(-c3sc(C)nc3C)cs2)CN1C.CC(=O)Cc1nc(-c2sc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)nc2C)cs1.CC(=O)Cc1nc(C(=O)Cc2nc(-c3sc(C)nc3C)cs2)cs1.Cc1nc(-c2cnccn2)sc1-c1csc(N(CCCN2CCOCC2)C(=O)c2cccs2)n1.Cc1ncc(-c2nc(NC(=O)c3cnc(OCO)c(Cl)c3)sc2N2CCN(C3CCCCC3)CC2)s1
• InChI: InChI=1S/C24H26Cl2N4O2S3.C24H29ClN6O3S2.C23H24N6O2S3.C16H15N3O2S3.C16H19N3OS2/c1-14(31)9-22-29-20(12-33-22)23-15(2)27-24(35-23)34-13-21(32)28-17-5-7-30(8-6-17)11-16-3-4-18(25)19(26)10-16;1-15-26-13-19(35-15)20-23(31-9-7-30(8-10-31)17-5-3-2-4-6-17)36-24(28-20)29-21(33)16-11-18(25)22(27-12-16)34-14-32;1-16-20(34-21(26-16)17-14-24-5-6-25-17)18-15-33-23(27-18)29(22(30)19-4-2-13-32-19)8-3-7-28-9-11-31-12-10-28;1-8(20)4-14-18-11(6-22-14)13(21)5-15-19-12(7-23-15)16-9(2)17-10(3)24-16;1-9-5-12(7-19(9)4)14(20)6-15-18-13(8-21-15)16-10(2)17-11(3)22-16/h3-4,10,12,17H,5-9,11,13H2,1-2H3,(H,28,32);11-13,17,32H,2-10,14H2,1H3,(H,28,29,33);2,4-6,13-15H,3,7-12H2,1H3;6-7H,4-5H2,1-3H3;8,12H,1,5-7H2,2-4H3
• InChIKey: QZWOMQOJILNEQO-UHFFFAOYSA-N
• XLogP: 22.37
• TPSA: 382.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 42
• Rotatable Bonds: 34
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2342.41
LogP ≤ 5	22.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-methyl-5-[2-(2-oxopropyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfanyl]acetamide;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one;2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-(1-methyl-5-methylidenepyrrolidin-3-yl)ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-methyl-5-[2-(2-oxopropyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfanyl]acetamide;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one;2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-(1-methyl-5-methylidenepyrrolidin-3-yl)ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (CID 160565616) is 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-methyl-5-[2-(2-oxopropyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfanyl]acetamide;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one;2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-(1-methyl-5-methylidenepyrrolidin-3-yl)ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-methyl-5-[2-(2-oxopropyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfanyl]acetamide;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one;2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-(1-methyl-5-methylidenepyrrolidin-3-yl)ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-methyl-5-[2-(2-oxopropyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfanyl]acetamide;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one;2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-(1-methyl-5-methylidenepyrrolidin-3-yl)ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is C=C1CC(C(=O)Cc2nc(-c3sc(C)nc3C)cs2)CN1C.CC(=O)Cc1nc(-c2sc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)nc2C)cs1.CC(=O)Cc1nc(C(=O)Cc2nc(-c3sc(C)nc3C)cs2)cs1.Cc1nc(-c2cnccn2)sc1-c1csc(N(CCCN2CCOCC2)C(=O)c2cccs2)n1.Cc1ncc(-c2nc(NC(=O)c3cnc(OCO)c(Cl)c3)sc2N2CCN(C3CCCCC3)CC2)s1.

What is the InChIKey of 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-methyl-5-[2-(2-oxopropyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfanyl]acetamide;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one;2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-(1-methyl-5-methylidenepyrrolidin-3-yl)ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?

The InChIKey is QZWOMQOJILNEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2S3.C24H29ClN6O3S2.C23H24N6O2S3.C16H15N3O2S3.C16H19N3OS2/c1-14(31)9-22-29-20(12-33-22)23-15(2)27-24(35-23)34-13-21(32)28-17-5-7-30(8-6-17)11-16-3-4-18(25)19(26)10-16;1-15-26-13-19(35-15)20-23(31-9-7-30(8-10-31)17-5-3-2-4-6-17)36-24(28-20)29-21(33)16-11-18(25)22(27-12-16)34-14-32;1-16-20(34-21(26-16)17-14-24-5-6-25-17)18-15-33-23(27-18)29(22(30)19-4-2-13-32-19)8-3-7-28-9-11-31-12-10-28;1-8(20)4-14-18-11(6-22-14)13(21)5-15-19-12(7-23-15)16-9(2)17-10(3)24-16;1-9-5-12(7-19(9)4)14(20)6-15-18-13(8-21-15)16-10(2)17-11(3)22-16/h3-4,10,12,17H,5-9,11,13H2,1-2H3,(H,28,32);11-13,17,32H,2-10,14H2,1H3,(H,28,29,33);2,4-6,13-15H,3,7-12H2,1H3;6-7H,4-5H2,1-3H3;8,12H,1,5-7H2,2-4H3.

What are the key properties of 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-methyl-5-[2-(2-oxopropyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfanyl]acetamide;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one;2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-(1-methyl-5-methylidenepyrrolidin-3-yl)ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?

5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-methyl-5-[2-(2-oxopropyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfanyl]acetamide;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one;2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-(1-methyl-5-methylidenepyrrolidin-3-yl)ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide has a molecular weight of 2342.41 g/mol, XLogP of 22.37, 34 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[5-(4-cyclohexylpiperazin-1-yl)-4-(2-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-6-(hydroxymethoxy)pyridine-3-carboxamide;N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[[4-methyl-5-[2-(2-oxopropyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfanyl]acetamide;1-[4-[2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetyl]-1,3-thiazol-2-yl]propan-2-one;2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-1-(1-methyl-5-methylidenepyrrolidin-3-yl)ethanone;N-[4-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 160565616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).