2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid

C14H13ClN2O3S — CID 60825782

IUPAC2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid
SMILESCc1nc(CC(=O)N(CC(=O)O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H13ClN2O3S/c1-9-16-11(8-21-9)6-13(18)17(7-14(19)20)12-4-2-10(15)3-5-12/h2-5,8H,6-7H2,1H3,(H,19,20)
InChIKeySIQYEBAJRVBMBF-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.77
Rot. Bonds5

About 2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid

2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid (PubChem CID 60825782) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid
PubChem CID60825782
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid
SMILESCc1nc(CC(=O)N(CC(=O)O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H13ClN2O3S/c1-9-16-11(8-21-9)6-13(18)17(7-14(19)20)12-4-2-10(15)3-5-12/h2-5,8H,6-7H2,1H3,(H,19,20)
InChIKeySIQYEBAJRVBMBF-UHFFFAOYSA-N
XLogP2.77
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid
CID 43356197
2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-prop-2-enylamino]acetic acid
CID 79264506
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327946
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110885409
1-(2,5-dichlorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propan-2-one
CID 65317065
(E)-3-(4-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 47352836
N-methyl-N-(4-methylsulfonylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 47074146
N,N-bis(2-hydroxyethyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 60653359
2-[4-chloro-N-(2-methylpropylcarbamoyl)anilino]acetic acid
CID 61189187
ethyl 2-(4-chloro-N-(2-phenylacetyl)anilino)acetate
CID 14856955
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 18272289
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 62800198

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid?
The IUPAC name of 2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid (CID 60825782) is 2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid.
What is the SMILES notation for 2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid?
The canonical SMILES for 2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid is Cc1nc(CC(=O)N(CC(=O)O)c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid?
The InChIKey is SIQYEBAJRVBMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-9-16-11(8-21-9)6-13(18)17(7-14(19)20)12-4-2-10(15)3-5-12/h2-5,8H,6-7H2,1H3,(H,19,20).
What are the key properties of 2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid?
2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid has a molecular weight of 324.79 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]anilino)acetic acid is sourced from PubChem (CID 60825782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).