N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C20H19N3O2S2 — CID 51295992

About N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 51295992) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 51295992
• Molecular Formula: C20H19N3O2S2
• Molecular Weight: 397.53 g/mol
• Exact Mass: 397.09
• IUPAC Name: N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
• SMILES: O=C(Cc1csc(NC(=O)c2cccs2)n1)NC(c1ccccc1)C1CC1
• InChI: InChI=1S/C20H19N3O2S2/c24-17(22-18(14-8-9-14)13-5-2-1-3-6-13)11-15-12-27-20(21-15)23-19(25)16-7-4-10-26-16/h1-7,10,12,14,18H,8-9,11H2,(H,22,24)(H,21,23,25)
• InChIKey: OAMUDTWAGPTGPK-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.53
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 51295992) is N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is O=C(Cc1csc(NC(=O)c2cccs2)n1)NC(c1ccccc1)C1CC1.

What is the InChIKey of N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is OAMUDTWAGPTGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c24-17(22-18(14-8-9-14)13-5-2-1-3-6-13)11-15-12-27-20(21-15)23-19(25)16-7-4-10-26-16/h1-7,10,12,14,18H,8-9,11H2,(H,22,24)(H,21,23,25).

What are the key properties of N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?

N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 397.53 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 51295992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).