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

C19H14N4O3S — CID 23144114

IUPACN-[4-(furan-2-yl)-5-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCn1ccc(-c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)cc1=O
InChIInChI=1S/C19H14N4O3S/c1-23-9-6-13(11-15(23)24)17-16(14-3-2-10-26-14)21-19(27-17)22-18(25)12-4-7-20-8-5-12/h2-11H,1H3,(H,21,22,25)
InChIKeyPLIRVJHFPGLQEO-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.42
Rot. Bonds4

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

N-[4-(furan-2-yl)-5-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 23144114) has the molecular formula C19H14N4O3S and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID23144114
Molecular FormulaC19H14N4O3S
Molecular Weight378.41 g/mol
Exact Mass378.08
IUPAC NameN-[4-(furan-2-yl)-5-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESCn1ccc(-c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)cc1=O
InChIInChI=1S/C19H14N4O3S/c1-23-9-6-13(11-15(23)24)17-16(14-3-2-10-26-14)21-19(27-17)22-18(25)12-4-7-20-8-5-12/h2-11H,1H3,(H,21,22,25)
InChIKeyPLIRVJHFPGLQEO-UHFFFAOYSA-N
XLogP3.42
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 23144114) is N-[4-(furan-2-yl)-5-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is Cn1ccc(-c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)cc1=O.
What is the InChIKey of N-[4-(furan-2-yl)-5-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is PLIRVJHFPGLQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O3S/c1-23-9-6-13(11-15(23)24)17-16(14-3-2-10-26-14)21-19(27-17)22-18(25)12-4-7-20-8-5-12/h2-11H,1H3,(H,21,22,25).
What are the key properties of N-[4-(furan-2-yl)-5-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
N-[4-(furan-2-yl)-5-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.42, 4 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-(1-methyl-2-oxo-4-pyridinyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 23144114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).