2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid

C12H11N3O3S — CID 62786875

IUPAC2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
SMILESNc1nc(C(=O)Nc2ccc(CC(=O)O)cc2)cs1
InChIInChI=1S/C12H11N3O3S/c13-12-15-9(6-19-12)11(18)14-8-3-1-7(2-4-8)5-10(16)17/h1-4,6H,5H2,(H2,13,15)(H,14,18)(H,16,17)
InChIKeyQIXXWCRUUSQTOL-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.60
Rot. Bonds4

About 2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid

2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid (PubChem CID 62786875) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
PubChem CID62786875
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
SMILESNc1nc(C(=O)Nc2ccc(CC(=O)O)cc2)cs1
InChIInChI=1S/C12H11N3O3S/c13-12-15-9(6-19-12)11(18)14-8-3-1-7(2-4-8)5-10(16)17/h1-4,6H,5H2,(H2,13,15)(H,14,18)(H,16,17)
InChIKeyQIXXWCRUUSQTOL-UHFFFAOYSA-N
XLogP1.60
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-amino-1,3-thiazole-4-carboxamide
CID 62787747
2-amino-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788909
2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62788018
2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62787701
2-amino-N-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 18319720
2-amino-N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 62788038
2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide
CID 62787318
2-amino-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62787524
2-[4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]phenyl]acetamide
CID 62798897
2-amino-N-(6-bromonaphthalen-2-yl)-1,3-thiazole-4-carboxamide
CID 81259724
2-amino-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 62788368
N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 51122885

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid (CID 62786875) is 2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid is Nc1nc(C(=O)Nc2ccc(CC(=O)O)cc2)cs1.
What is the InChIKey of 2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid?
The InChIKey is QIXXWCRUUSQTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c13-12-15-9(6-19-12)11(18)14-8-3-1-7(2-4-8)5-10(16)17/h1-4,6H,5H2,(H2,13,15)(H,14,18)(H,16,17).
What are the key properties of 2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid?
2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid has a molecular weight of 277.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 62786875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).