cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C18H20N2O3S — CID 120675305

About cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120675305) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
• PubChem CID: 120675305
• Molecular Formula: C18H20N2O3S
• Molecular Weight: 344.44 g/mol
• Exact Mass: 344.12
• IUPAC Name: cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
• SMILES: Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
• InChI: InChI=1S/C18H20N2O3S/c1-11-16(17(21)20-14-8-7-13(10-14)18(22)23)24-15(19-11)9-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3,(H,20,21)(H,22,23)/t13-,14+/m0/s1
• InChIKey: HMKZILYWWYQLAZ-UONOGXRCSA-N
• XLogP: 3.03
• TPSA: 79.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.44
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120675305) is cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1.

What is the InChIKey of cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?

The InChIKey is HMKZILYWWYQLAZ-UONOGXRCSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-11-16(17(21)20-14-8-7-13(10-14)18(22)23)24-15(19-11)9-12-5-3-2-4-6-12/h2-6,13-14H,7-10H2,1H3,(H,20,21)(H,22,23)/t13-,14+/m0/s1.

What are the key properties of cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?

cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 344.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).