N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C16H18N4O3S — CID 86913773

About N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 86913773) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 86913773
• Molecular Formula: C16H18N4O3S
• Molecular Weight: 346.41 g/mol
• Exact Mass: 346.11
• IUPAC Name: N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: CC(C)C(C)(C#N)NC(=O)Cc1csc(NC(=O)c2ccco2)n1
• InChI: InChI=1S/C16H18N4O3S/c1-10(2)16(3,9-17)20-13(21)7-11-8-24-15(18-11)19-14(22)12-5-4-6-23-12/h4-6,8,10H,7H2,1-3H3,(H,20,21)(H,18,19,22)
• InChIKey: HMYZCDABIIYNQR-UHFFFAOYSA-N
• XLogP: 2.59
• TPSA: 108.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.41
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 86913773) is N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is CC(C)C(C)(C#N)NC(=O)Cc1csc(NC(=O)c2ccco2)n1.

What is the InChIKey of N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is HMYZCDABIIYNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-10(2)16(3,9-17)20-13(21)7-11-8-24-15(18-11)19-14(22)12-5-4-6-23-12/h4-6,8,10H,7H2,1-3H3,(H,20,21)(H,18,19,22).

What are the key properties of N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 86913773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).