N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide

C12H13N3O2S — CID 106753495

IUPACN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(C(C)O)cs2)ccn1
InChIInChI=1S/C12H13N3O2S/c1-7-5-9(3-4-13-7)11(17)15-12-14-10(6-18-12)8(2)16/h3-6,8,16H,1-2H3,(H,14,15,17)
InChIKeyQMTPUYKZUQHVOJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.15
Rot. Bonds3

About N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide (PubChem CID 106753495) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide
PubChem CID106753495
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(C(C)O)cs2)ccn1
InChIInChI=1S/C12H13N3O2S/c1-7-5-9(3-4-13-7)11(17)15-12-14-10(6-18-12)8(2)16/h3-6,8,16H,1-2H3,(H,14,15,17)
InChIKeyQMTPUYKZUQHVOJ-UHFFFAOYSA-N
XLogP2.15
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 60728580
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 60728209
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 64545262
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 64555861
2-[1-[(2-methylpyridine-4-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 106752684
3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 63213843
3-[(2-methylpyridine-4-carbonyl)amino]butanoic acid
CID 106752504
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methyltriazole-4-carboxamide
CID 112735662
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
N-[(2S)-2-hydroxypropyl]-2-methylpyridine-4-carboxamide
CID 106753450
3-amino-4-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 61479829
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide (CID 106753495) is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2nc(C(C)O)cs2)ccn1.
What is the InChIKey of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is QMTPUYKZUQHVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7-5-9(3-4-13-7)11(17)15-12-14-10(6-18-12)8(2)16/h3-6,8,16H,1-2H3,(H,14,15,17).
What are the key properties of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide?
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106753495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).