2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid

C13H11ClN2O4S — CID 10639873

IUPAC2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid
SMILESCOc1cn(CC(=O)O)/c(=N\C(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H11ClN2O4S/c1-20-11-7-16(6-10(17)18)13(21-11)15-12(19)8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,17,18)/b15-13+
InChIKeyILOJNFVHGZEQGX-FYWRMAATSA-N
MW326.76 g/mol
LogP2.04
Rot. Bonds4

About 2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid

2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid (PubChem CID 10639873) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is 2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid
PubChem CID10639873
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC Name2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid
SMILESCOc1cn(CC(=O)O)/c(=N\C(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H11ClN2O4S/c1-20-11-7-16(6-10(17)18)13(21-11)15-12(19)8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,17,18)/b15-13+
InChIKeyILOJNFVHGZEQGX-FYWRMAATSA-N
XLogP2.04
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 2083068
3-chloro-N-[3-[2-(dimethylamino)-2-oxoethyl]-5-methyl-1,3-thiazol-2-ylidene]benzamide
CID 45976539
5-chloro-2-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide
CID 68622963
2-chloro-4-fluoro-N-[3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-ylidene]benzamide
CID 68623262
methyl (2Z)-2-[2-(4-chlorobenzoyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 139237220
2-[2-(4-Chlorobenzoyl)imino-1,3-thiazolidin-3-yl]acetic acid
CID 10637848
Ethyl 2-[2-(4-chlorobenzoyl)imino-1,3-thiazol-3-yl]acetate
CID 45028058
Ethyl 2-[2-(4-chlorobenzoyl)imino-1,3-thiazolidin-3-yl]acetate
CID 45028062
2-[2-(3,4-Dichlorobenzoyl)imino-1,3-thiazol-3-yl]butanoic acid
CID 45949942
2-[2-(3-Chlorobenzoyl)imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl]acetic acid
CID 71536446
2-(2-Benzoylimino-1,3-thiazol-3-yl)acetic acid
CID 10730180
2-[2-(4-Chlorobenzoyl)imino-1,3-thiazol-3-yl]acetic acid
CID 10780295

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid (CID 10639873) is 2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid is COc1cn(CC(=O)O)/c(=N\C(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid?
The InChIKey is ILOJNFVHGZEQGX-FYWRMAATSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c1-20-11-7-16(6-10(17)18)13(21-11)15-12(19)8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,17,18)/b15-13+.
What are the key properties of 2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid?
2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid has a molecular weight of 326.76 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorobenzoyl)imino-5-methoxy-1,3-thiazol-3-yl]acetic acid is sourced from PubChem (CID 10639873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).