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

C19H12N4O3S — CID 23144132

IUPACN-[4-(furan-2-yl)-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2ccncc2)s1)c1ccncc1
InChIInChI=1S/C19H12N4O3S/c24-16(12-3-7-20-8-4-12)17-15(14-2-1-11-26-14)22-19(27-17)23-18(25)13-5-9-21-10-6-13/h1-11H,(H,22,23,25)
InChIKeyCKLLBEGWFUHKOT-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.68
Rot. Bonds5

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

N-[4-(furan-2-yl)-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 23144132) has the molecular formula C19H12N4O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID23144132
Molecular FormulaC19H12N4O3S
Molecular Weight376.40 g/mol
Exact Mass376.06
IUPAC NameN-[4-(furan-2-yl)-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(=O)c2ccncc2)s1)c1ccncc1
InChIInChI=1S/C19H12N4O3S/c24-16(12-3-7-20-8-4-12)17-15(14-2-1-11-26-14)22-19(27-17)23-18(25)13-5-9-21-10-6-13/h1-11H,(H,22,23,25)
InChIKeyCKLLBEGWFUHKOT-UHFFFAOYSA-N
XLogP3.68
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.68
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-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 23144132) is N-[4-(furan-2-yl)-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is O=C(Nc1nc(-c2ccco2)c(C(=O)c2ccncc2)s1)c1ccncc1.
What is the InChIKey of N-[4-(furan-2-yl)-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is CKLLBEGWFUHKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O3S/c24-16(12-3-7-20-8-4-12)17-15(14-2-1-11-26-14)22-19(27-17)23-18(25)13-5-9-21-10-6-13/h1-11H,(H,22,23,25).
What are the key properties of N-[4-(furan-2-yl)-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(furan-2-yl)-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 3.68, 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-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 23144132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).