N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide

C19H17ClN2O3S — CID 46067970

IUPACN-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)cs2)cc1OC
InChIInChI=1S/C19H17ClN2O3S/c1-3-25-16-8-7-12(9-17(16)24-2)19-22-15(11-26-19)18(23)21-14-6-4-5-13(20)10-14/h4-11H,3H2,1-2H3,(H,21,23)
InChIKeyYXGRPLJAJMSVKE-UHFFFAOYSA-N
MW388.88 g/mol
LogP5.12
Rot. Bonds6

About N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46067970) has the molecular formula C19H17ClN2O3S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46067970
Molecular FormulaC19H17ClN2O3S
Molecular Weight388.88 g/mol
Exact Mass388.06
IUPAC NameN-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)cs2)cc1OC
InChIInChI=1S/C19H17ClN2O3S/c1-3-25-16-8-7-12(9-17(16)24-2)19-22-15(11-26-19)18(23)21-14-6-4-5-13(20)10-14/h4-11H,3H2,1-2H3,(H,21,23)
InChIKeyYXGRPLJAJMSVKE-UHFFFAOYSA-N
XLogP5.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.88
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46165555
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066287
N-cyclopropyl-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066159
2-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 9078146
N-(3-carbamoyl-4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46423829
N-(3-acetamidophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46547565
N-(3-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 15997665
2-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 42865930
2-(3,4-dimethoxyphenyl)-N-(3,4,5-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 166212983
2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbohydrazide
CID 1478837
N'-(4-ethoxy-3-methoxybenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55438760
2-(3,4-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-1,3-thiazole-4-carboxamide
CID 9180409

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 46067970) is N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide is CCOc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)cs2)cc1OC.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YXGRPLJAJMSVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S/c1-3-25-16-8-7-12(9-17(16)24-2)19-22-15(11-26-19)18(23)21-14-6-4-5-13(20)10-14/h4-11H,3H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 388.88 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46067970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).