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

C13H14N2O3S — CID 60728209

IUPACN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(C(C)O)cs2)c1
InChIInChI=1S/C13H14N2O3S/c1-8(16)11-7-19-13(14-11)15-12(17)9-4-3-5-10(6-9)18-2/h3-8,16H,1-2H3,(H,14,15,17)
InChIKeyXMQVTUOQDXGQKF-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.46
Rot. Bonds4

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

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide (PubChem CID 60728209) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
PubChem CID60728209
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc(C(C)O)cs2)c1
InChIInChI=1S/C13H14N2O3S/c1-8(16)11-7-19-13(14-11)15-12(17)9-4-3-5-10(6-9)18-2/h3-8,16H,1-2H3,(H,14,15,17)
InChIKeyXMQVTUOQDXGQKF-UHFFFAOYSA-N
XLogP2.46
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 60728580
3-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4527013
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 7213251
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 64545259
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 4055299
N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 16850206
3-(2-methylpropoxy)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30854706
methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 87301133
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenoxybenzamide
CID 2334070

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide (CID 60728209) is N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2nc(C(C)O)cs2)c1.
What is the InChIKey of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
The InChIKey is XMQVTUOQDXGQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-8(16)11-7-19-13(14-11)15-12(17)9-4-3-5-10(6-9)18-2/h3-8,16H,1-2H3,(H,14,15,17).
What are the key properties of N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide?
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methoxybenzamide has a molecular weight of 278.33 g/mol, XLogP of 2.46, 4 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]-3-methoxybenzamide is sourced from PubChem (CID 60728209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).