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

C22H14N4O3S — CID 23144469

IUPAC4-cyano-N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)c2sc(NC(=O)c3ccc(C#N)cc3)nc2-c2ccco2)cn1
InChIInChI=1S/C22H14N4O3S/c1-13-4-7-16(12-24-13)19(27)20-18(17-3-2-10-29-17)25-22(30-20)26-21(28)15-8-5-14(11-23)6-9-15/h2-10,12H,1H3,(H,25,26,28)
InChIKeyIIEPNOGORHKCNI-UHFFFAOYSA-N
MW414.45 g/mol
LogP4.46
Rot. Bonds5

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

4-cyano-N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 23144469) has the molecular formula C22H14N4O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is 4-cyano-N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide
PubChem CID23144469
Molecular FormulaC22H14N4O3S
Molecular Weight414.45 g/mol
Exact Mass414.08
IUPAC Name4-cyano-N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(C(=O)c2sc(NC(=O)c3ccc(C#N)cc3)nc2-c2ccco2)cn1
InChIInChI=1S/C22H14N4O3S/c1-13-4-7-16(12-24-13)19(27)20-18(17-3-2-10-29-17)25-22(30-20)26-21(28)15-8-5-14(11-23)6-9-15/h2-10,12H,1H3,(H,25,26,28)
InChIKeyIIEPNOGORHKCNI-UHFFFAOYSA-N
XLogP4.46
TPSA108.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-cyano-N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide (CID 23144469) is 4-cyano-N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-cyano-N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(C(=O)c2sc(NC(=O)c3ccc(C#N)cc3)nc2-c2ccco2)cn1.
What is the InChIKey of 4-cyano-N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is IIEPNOGORHKCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O3S/c1-13-4-7-16(12-24-13)19(27)20-18(17-3-2-10-29-17)25-22(30-20)26-21(28)15-8-5-14(11-23)6-9-15/h2-10,12H,1H3,(H,25,26,28).
What are the key properties of 4-cyano-N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide?
4-cyano-N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 414.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(furan-2-yl)-5-(6-methylpyridine-3-carbonyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 23144469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).