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

C18H19FN2O3S — CID 120678890

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

cis-(1R,3S)-3-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120678890) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1R,3S)-3-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
• PubChem CID: 120678890
• Molecular Formula: C18H19FN2O3S
• Molecular Weight: 362.43 g/mol
• Exact Mass: 362.11
• IUPAC Name: cis-(1R,3S)-3-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
• SMILES: Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
• InChI: InChI=1S/C18H19FN2O3S/c1-10-16(17(22)21-14-7-4-12(9-14)18(23)24)25-15(20-10)8-11-2-5-13(19)6-3-11/h2-3,5-6,12,14H,4,7-9H2,1H3,(H,21,22)(H,23,24)/t12-,14+/m1/s1
• InChIKey: GIGKAOSMSBWNFC-OCCSQVGLSA-N
• XLogP: 3.16
• TPSA: 79.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.43
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of cis-(1R,3S)-3-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120678890) is cis-(1R,3S)-3-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid.

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

The canonical SMILES for cis-(1R,3S)-3-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid is Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.

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

The InChIKey is GIGKAOSMSBWNFC-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-10-16(17(22)21-14-7-4-12(9-14)18(23)24)25-15(20-10)8-11-2-5-13(19)6-3-11/h2-3,5-6,12,14H,4,7-9H2,1H3,(H,21,22)(H,23,24)/t12-,14+/m1/s1.

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

cis-(1R,3S)-3-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).