imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate

C27H29N5O3S2 — CID 67412580

About imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate

imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate (PubChem CID 67412580) has the molecular formula C27H29N5O3S2 and a molecular weight of 535.70 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate.

Molecular Properties

• Compound Name: imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate
• PubChem CID: 67412580
• Molecular Formula: C27H29N5O3S2
• Molecular Weight: 535.70 g/mol
• Exact Mass: 535.17
• IUPAC Name: imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate
• SMILES: Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CNC(=O)Oc2cn3ccsc3n2)c1
• InChI: InChI=1S/C27H29N5O3S2/c1-15-5-4-6-18(9-15)24-23(29-17(3)37-24)25(33)32-13-19-10-16(2)11-20(19)21(32)12-28-27(34)35-22-14-31-7-8-36-26(31)30-22/h4-9,14,16,19-21H,10-13H2,1-3H3,(H,28,34)/t16?,19-,20-,21+/m0/s1
• InChIKey: DHEFVGJZHAOVCD-GSPFLADASA-N
• XLogP: 5.41
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.70
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate?

The IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate (CID 67412580) is imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate.

What is the SMILES notation for imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate?

The canonical SMILES for imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate is Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CNC(=O)Oc2cn3ccsc3n2)c1.

What is the InChIKey of imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate?

The InChIKey is DHEFVGJZHAOVCD-GSPFLADASA-N. The full InChI is InChI=1S/C27H29N5O3S2/c1-15-5-4-6-18(9-15)24-23(29-17(3)37-24)25(33)32-13-19-10-16(2)11-20(19)21(32)12-28-27(34)35-22-14-31-7-8-36-26(31)30-22/h4-9,14,16,19-21H,10-13H2,1-3H3,(H,28,34)/t16?,19-,20-,21+/m0/s1.

What are the key properties of imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate?

imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate has a molecular weight of 535.70 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for imidazo[2,1-b][1,3]thiazol-6-yl N-[[(3S,3aS,6aR)-5-methyl-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate is sourced from PubChem (CID 67412580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).