N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride

C19H27ClN4O3S — CID 119696350

About N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119696350) has the molecular formula C19H27ClN4O3S and a molecular weight of 426.97 g/mol. Its IUPAC name is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

• Compound Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
• PubChem CID: 119696350
• Molecular Formula: C19H27ClN4O3S
• Molecular Weight: 426.97 g/mol
• Exact Mass: 426.15
• IUPAC Name: N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
• SMILES: CC(=O)NCc1ccc(-c2csc(NC(=O)CC(C)C3CCCNC3)n2)o1.Cl
• InChI: InChI=1S/C19H26N4O3S.ClH/c1-12(14-4-3-7-20-9-14)8-18(25)23-19-22-16(11-27-19)17-6-5-15(26-17)10-21-13(2)24;/h5-6,11-12,14,20H,3-4,7-10H2,1-2H3,(H,21,24)(H,22,23,25);1H
• InChIKey: UAANZWMNMSXPSI-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 96.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.97
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?

The IUPAC name of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119696350) is N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride.

What is the SMILES notation for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?

The canonical SMILES for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(=O)NCc1ccc(-c2csc(NC(=O)CC(C)C3CCCNC3)n2)o1.Cl.

What is the InChIKey of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?

The InChIKey is UAANZWMNMSXPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S.ClH/c1-12(14-4-3-7-20-9-14)8-18(25)23-19-22-16(11-27-19)17-6-5-15(26-17)10-21-13(2)24;/h5-6,11-12,14,20H,3-4,7-10H2,1-2H3,(H,21,24)(H,22,23,25);1H.

What are the key properties of N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride?

N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 426.97 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119696350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).