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

C12H13N3O2S — CID 114040411

IUPACN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2cccc(=O)[nH]2)s1
InChIInChI=1S/C12H13N3O2S/c1-7-6-13-12(18-7)8(2)14-11(17)9-4-3-5-10(16)15-9/h3-6,8H,1-2H3,(H,14,17)(H,15,16)
InChIKeyDNRZNALCZODYHA-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.63
Rot. Bonds3

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

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 114040411) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID114040411
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCc1cnc(C(C)NC(=O)c2cccc(=O)[nH]2)s1
InChIInChI=1S/C12H13N3O2S/c1-7-6-13-12(18-7)8(2)14-11(17)9-4-3-5-10(16)15-9/h3-6,8H,1-2H3,(H,14,17)(H,15,16)
InChIKeyDNRZNALCZODYHA-UHFFFAOYSA-N
XLogP1.63
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3-fluoro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 113387325
N-(3-methylbutan-2-yl)-6-oxo-1H-pyridine-2-carboxamide
CID 103846215
3,5-dibromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103908469
2-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112704951
4-cyano-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112697308
2,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 113251802
3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702022
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119898126
5-bromo-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 112697622
6-[1-(5-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrimidine-4-carboxylic acid
CID 139564980
4-amino-2-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 115741114
6-oxo-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]-1H-pyridine-2-carboxamide
CID 124907211

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide (CID 114040411) is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide is Cc1cnc(C(C)NC(=O)c2cccc(=O)[nH]2)s1.
What is the InChIKey of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is DNRZNALCZODYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-6-13-12(18-7)8(2)14-11(17)9-4-3-5-10(16)15-9/h3-6,8H,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide?
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 114040411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).