4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide

C12H11ClN2O3S — CID 19375983

IUPAC4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(-c2csc(C(N)=O)n2)c(Cl)c1OC
InChIInChI=1S/C12H11ClN2O3S/c1-17-8-4-3-6(9(13)10(8)18-2)7-5-19-12(15-7)11(14)16/h3-5H,1-2H3,(H2,14,16)
InChIKeyHMPRQIHNQZXYHC-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.58
Rot. Bonds4

About 4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide

4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 19375983) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is 4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide
PubChem CID19375983
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Name4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(-c2csc(C(N)=O)n2)c(Cl)c1OC
InChIInChI=1S/C12H11ClN2O3S/c1-17-8-4-3-6(9(13)10(8)18-2)7-5-19-12(15-7)11(14)16/h3-5H,1-2H3,(H2,14,16)
InChIKeyHMPRQIHNQZXYHC-UHFFFAOYSA-N
XLogP2.58
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 19375958
4-(2-fluoro-6-methoxyphenyl)-1,3-thiazole-2-carboxamide
CID 168988816
2-amino-5-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510015
2-[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 63631665
4-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 10130961
1-[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 82308937
4-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1,3-thiazole-2-carboxamide
CID 173150144
4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide
CID 19375996
2-(2-chloro-3,4-dimethoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422373
ethyl 4-(3-chloro-4,5-dimethoxyphenyl)-1,3-thiazole-2-carboxylate
CID 19375962
2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 43322559
2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole
CID 116968047

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide (CID 19375983) is 4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide is COc1ccc(-c2csc(C(N)=O)n2)c(Cl)c1OC.
What is the InChIKey of 4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is HMPRQIHNQZXYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c1-17-8-4-3-6(9(13)10(8)18-2)7-5-19-12(15-7)11(14)16/h3-5H,1-2H3,(H2,14,16).
What are the key properties of 4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide?
4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 298.75 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 19375983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).