3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

C14H16N2O2S — CID 18096314

IUPAC3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc(C(C)C)cs2)c1
InChIInChI=1S/C14H16N2O2S/c1-9(2)12-8-19-14(15-12)16-13(17)10-5-4-6-11(7-10)18-3/h4-9H,1-3H3,(H,15,16,17)
InChIKeyQNOUBWURUKWBLO-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.53
Rot. Bonds4

About 3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 18096314) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID18096314
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc(C(C)C)cs2)c1
InChIInChI=1S/C14H16N2O2S/c1-9(2)12-8-19-14(15-12)16-13(17)10-5-4-6-11(7-10)18-3/h4-9H,1-3H3,(H,15,16,17)
InChIKeyQNOUBWURUKWBLO-UHFFFAOYSA-N
XLogP3.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
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-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
N-(4-propan-2-yl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 46674238
2-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 80504154
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
methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 87301133
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-3-methylbenzamide
CID 60728580
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 4055299
4-[(4-methoxyphenyl)sulfamoyl]-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 24575372
N-[4-[(3,5-dimethoxyphenyl)methylsulfanylmethyl]-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 16850206

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 18096314) is 3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nc(C(C)C)cs2)c1.
What is the InChIKey of 3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is QNOUBWURUKWBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9(2)12-8-19-14(15-12)16-13(17)10-5-4-6-11(7-10)18-3/h4-9H,1-3H3,(H,15,16,17).
What are the key properties of 3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 276.36 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 18096314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).