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

C18H12N4O3S — CID 23144285

IUPACN-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2cc[nH]c2)s1)c1ccncc1
InChIInChI=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)
InChIKeyWCMHAXDLGGXVDE-UHFFFAOYSA-N
MW364.39 g/mol
LogP3.61
Rot. Bonds5

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 NameN-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID23144285
Molecular FormulaC18H12N4O3S
Molecular Weight364.39 g/mol
Exact Mass364.06
IUPAC NameN-[4-(furan-2-yl)-5-(1H-pyrrole-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2cc[nH]c2)s1)c1ccncc1
InChIInChI=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)
InChIKeyWCMHAXDLGGXVDE-UHFFFAOYSA-N
XLogP3.61
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).