N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C19H21N5O3S2 — CID 46699089

About N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 46699089) has the molecular formula C19H21N5O3S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• PubChem CID: 46699089
• Molecular Formula: C19H21N5O3S2
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.11
• IUPAC Name: N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
• SMILES: O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1nc(CN2CCCCC2)cs1
• InChI: InChI=1S/C19H21N5O3S2/c25-16(22-18-21-14(12-29-18)10-24-6-2-1-3-7-24)9-13-11-28-19(20-13)23-17(26)15-5-4-8-27-15/h4-5,8,11-12H,1-3,6-7,9-10H2,(H,20,23,26)(H,21,22,25)
• InChIKey: GRDNMVCXKCQCJE-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The IUPAC name of N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 46699089) is N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Cc1csc(NC(=O)c2ccco2)n1)Nc1nc(CN2CCCCC2)cs1.

What is the InChIKey of N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

The InChIKey is GRDNMVCXKCQCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S2/c25-16(22-18-21-14(12-29-18)10-24-6-2-1-3-7-24)9-13-11-28-19(20-13)23-17(26)15-5-4-8-27-15/h4-5,8,11-12H,1-3,6-7,9-10H2,(H,20,23,26)(H,21,22,25).

What are the key properties of N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide?

N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-oxo-2-[[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]amino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46699089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).