2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid

C15H15N3O5S — CID 58135286

IUPAC2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid
SMILESCc1ccc(-c2nc(C(N)=O)cs2)cc1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C15H15N3O5S/c1-8-2-3-9(15-17-10(7-24-15)14(16)23)4-11(8)18(5-12(19)20)6-13(21)22/h2-4,7H,5-6H2,1H3,(H2,16,23)(H,19,20)(H,21,22)
InChIKeyPQJUVTSOQVOCIL-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.19
Rot. Bonds7

About 2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid

2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid (PubChem CID 58135286) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid.

Molecular Properties

Compound Name2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid
PubChem CID58135286
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid
SMILESCc1ccc(-c2nc(C(N)=O)cs2)cc1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C15H15N3O5S/c1-8-2-3-9(15-17-10(7-24-15)14(16)23)4-11(8)18(5-12(19)20)6-13(21)22/h2-4,7H,5-6H2,1H3,(H2,16,23)(H,19,20)(H,21,22)
InChIKeyPQJUVTSOQVOCIL-UHFFFAOYSA-N
XLogP1.19
TPSA133.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]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-[3-[bis(2-ethoxy-2-oxoethyl)amino]-4-methylphenyl]-1,3-thiazole-4-carboxylic acid
CID 66880463
2-[5-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 58135370
2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 116891955
2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazole-4-carboxamide
CID 116892007
2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 116891994
2-[2-(3-chloro-4-methylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 106817926
2-[[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119348120
ethyl 2-[N-(2-ethoxy-2-oxoethyl)-2-methyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)anilino]acetate
CID 66938475
2-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 119204842
2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-(4-methylphenyl)quinolin-6-yl]-1,3-thiazole-4-carboxamide
CID 68828209
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid
CID 55244982

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid?
The IUPAC name of 2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid (CID 58135286) is 2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid.
What is the SMILES notation for 2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid?
The canonical SMILES for 2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid is Cc1ccc(-c2nc(C(N)=O)cs2)cc1N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid?
The InChIKey is PQJUVTSOQVOCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-8-2-3-9(15-17-10(7-24-15)14(16)23)4-11(8)18(5-12(19)20)6-13(21)22/h2-4,7H,5-6H2,1H3,(H2,16,23)(H,19,20)(H,21,22).
What are the key properties of 2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid?
2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid has a molecular weight of 349.37 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-carbamoyl-1,3-thiazol-2-yl)-N-(carboxymethyl)-2-methylanilino]acetic acid is sourced from PubChem (CID 58135286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).