2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid

C13H13N3O3S — CID 63825227

IUPAC2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)NCc1cscn1
InChIInChI=1S/C13H13N3O3S/c17-12(18)5-9-3-1-2-4-11(9)16-13(19)14-6-10-7-20-8-15-10/h1-4,7-8H,5-6H2,(H,17,18)(H2,14,16,19)
InChIKeyNWYNIQKIZQCETI-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.09
Rot. Bonds5

About 2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid

2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid (PubChem CID 63825227) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid
PubChem CID63825227
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)NCc1cscn1
InChIInChI=1S/C13H13N3O3S/c17-12(18)5-9-3-1-2-4-11(9)16-13(19)14-6-10-7-20-8-15-10/h1-4,7-8H,5-6H2,(H,17,18)(H2,14,16,19)
InChIKeyNWYNIQKIZQCETI-UHFFFAOYSA-N
XLogP2.09
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]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-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
CID 62534041
4-(1,3-thiazol-4-ylmethylcarbamoylamino)benzoic acid
CID 63825574
4-methyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)benzoic acid
CID 63825750
2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63831536
3-phenyl-3-(1,3-thiazol-4-ylmethylcarbamoylamino)propanoic acid
CID 63825576
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
2-(2-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49346575
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 111454997
3-[2-(1,2-oxazol-3-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 107274113
3-[2-(1,3-thiazol-2-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 107274047

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid (CID 63825227) is 2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)NCc1cscn1.
What is the InChIKey of 2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid?
The InChIKey is NWYNIQKIZQCETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3S/c17-12(18)5-9-3-1-2-4-11(9)16-13(19)14-6-10-7-20-8-15-10/h1-4,7-8H,5-6H2,(H,17,18)(H2,14,16,19).
What are the key properties of 2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid?
2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid has a molecular weight of 291.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 63825227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).