N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C18H12N4O3S — CID 23144285

About N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 23144285) has the molecular formula C18H12N4O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
• PubChem CID: 23144285
• Molecular Formula: C18H12N4O3S
• Molecular Weight: 364.39 g/mol
• Exact Mass: 364.06
• IUPAC Name: N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
• SMILES: O=C(Nc1nc(-c2ccco2)c(C(=O)c2cc[nH]c2)s1)c1ccncc1
• InChI: InChI=1S/C18H12N4O3S/c23-15(12-5-8-20-10-12)16-14(13-2-1-9-25-13)21-18(26-16)22-17(24)11-3-6-19-7-4-11/h1-10,20H,(H,21,22,24)
• InChIKey: WCMHAXDLGGXVDE-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 100.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.39
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The IUPAC name of N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 23144285) is N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

What is the SMILES notation for N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The canonical SMILES for N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is O=C(Nc1nc(-c2ccco2)c(C(=O)c2cc[nH]c2)s1)c1ccncc1.

What is the InChIKey of N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?

The InChIKey is WCMHAXDLGGXVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O3S/c23-15(12-5-8-20-10-12)16-14(13-2-1-9-25-13)21-18(26-16)22-17(24)11-3-6-19-7-4-11/h1-10,20H,(H,21,22,24).

What are the key properties of N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?

N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 364.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 23144285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).