N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C16H17N5O3S — CID 55740158

About N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 55740158) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 55740158
• Molecular Formula: C16H17N5O3S
• Molecular Weight: 359.41 g/mol
• Exact Mass: 359.11
• IUPAC Name: N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: CC(Cn1ccnc1)NC(=O)Cc1csc(NC(=O)c2ccco2)n1
• InChI: InChI=1S/C16H17N5O3S/c1-11(8-21-5-4-17-10-21)18-14(22)7-12-9-25-16(19-12)20-15(23)13-3-2-6-24-13/h2-6,9-11H,7-8H2,1H3,(H,18,22)(H,19,20,23)
• InChIKey: GRRWQNOQOIZOQZ-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 102.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.41
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 55740158) is N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is CC(Cn1ccnc1)NC(=O)Cc1csc(NC(=O)c2ccco2)n1.

What is the InChIKey of N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is GRRWQNOQOIZOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-11(8-21-5-4-17-10-21)18-14(22)7-12-9-25-16(19-12)20-15(23)13-3-2-6-24-13/h2-6,9-11H,7-8H2,1H3,(H,18,22)(H,19,20,23).

What are the key properties of N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55740158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).