N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C12H13N3O2S — CID 103709201

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCc1cnc(CNC(=O)c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C12H13N3O2S/c1-2-9-6-14-11(18-9)7-15-12(17)8-3-4-10(16)13-5-8/h3-6H,2,7H2,1H3,(H,13,16)(H,15,17)
InChIKeyFXRPZJPYSYJZLR-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.32
Rot. Bonds4

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 103709201) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID103709201
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCCc1cnc(CNC(=O)c2ccc(=O)[nH]c2)s1
InChIInChI=1S/C12H13N3O2S/c1-2-9-6-14-11(18-9)7-15-12(17)8-3-4-10(16)13-5-8/h3-6H,2,7H2,1H3,(H,13,16)(H,15,17)
InChIKeyFXRPZJPYSYJZLR-UHFFFAOYSA-N
XLogP1.32
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 103709201) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is CCc1cnc(CNC(=O)c2ccc(=O)[nH]c2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is FXRPZJPYSYJZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-9-6-14-11(18-9)7-15-12(17)8-3-4-10(16)13-5-8/h3-6H,2,7H2,1H3,(H,13,16)(H,15,17).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103709201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).