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

C13H14N2O2S — CID 60728580

IUPACN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nc(C(C)O)cs2)c1
InChIInChI=1S/C13H14N2O2S/c1-8-4-3-5-10(6-8)12(17)15-13-14-11(7-18-13)9(2)16/h3-7,9,16H,1-2H3,(H,14,15,17)
InChIKeyQGUFNTLYPTYIQZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.76
Rot. Bonds3

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

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide (PubChem CID 60728580) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
PubChem CID60728580
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2nc(C(C)O)cs2)c1
InChIInChI=1S/C13H14N2O2S/c1-8-4-3-5-10(6-8)12(17)15-13-14-11(7-18-13)9(2)16/h3-7,9,16H,1-2H3,(H,14,15,17)
InChIKeyQGUFNTLYPTYIQZ-UHFFFAOYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 60728209
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpyridine-4-carboxamide
CID 106753495
3-methyl-N-[4-(methylamino)-1,3-thiazol-2-yl]benzamide
CID 54068309
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 46674238
methyl 2-[2-[(3-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 35569810
3-methyl-N-[(2S)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2082289
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-5-methylfuran-2-carboxamide
CID 64545262
3-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 44572247
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 64555861
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
propan-2-yl 4-methyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 110441431

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide?
The IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide (CID 60728580) is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2nc(C(C)O)cs2)c1.
What is the InChIKey of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide?
The InChIKey is QGUFNTLYPTYIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-4-3-5-10(6-8)12(17)15-13-14-11(7-18-13)9(2)16/h3-7,9,16H,1-2H3,(H,14,15,17).
What are the key properties of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide?
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide has a molecular weight of 262.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide is sourced from PubChem (CID 60728580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).