N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

C20H14N4O3S — CID 23144189

IUPACN-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)cn1
InChIInChI=1S/C20H14N4O3S/c1-12-4-5-14(11-22-12)17(25)18-16(15-3-2-10-27-15)23-20(28-18)24-19(26)13-6-8-21-9-7-13/h2-11H,1H3,(H,23,24,26)
InChIKeyCHBNKCFGMVYFRR-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.98
Rot. Bonds5

About N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide

N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 23144189) has the molecular formula C20H14N4O3S and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID23144189
Molecular FormulaC20H14N4O3S
Molecular Weight390.42 g/mol
Exact Mass390.08
IUPAC NameN-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)cn1
InChIInChI=1S/C20H14N4O3S/c1-12-4-5-14(11-22-12)17(25)18-16(15-3-2-10-27-15)23-20(28-18)24-19(26)13-6-8-21-9-7-13/h2-11H,1H3,(H,23,24,26)
InChIKeyCHBNKCFGMVYFRR-UHFFFAOYSA-N
XLogP3.98
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 23144189) is N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cc1ccc(C(=O)c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)cn1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is CHBNKCFGMVYFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3S/c1-12-4-5-14(11-22-12)17(25)18-16(15-3-2-10-27-15)23-20(28-18)24-19(26)13-6-8-21-9-7-13/h2-11H,1H3,(H,23,24,26).
What are the key properties of N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 23144189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).