2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid

C14H15N3O3S — CID 62534041

IUPAC2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
SMILESCc1nc(CNC(=O)Nc2ccccc2CC(=O)O)cs1
InChIInChI=1S/C14H15N3O3S/c1-9-16-11(8-21-9)7-15-14(20)17-12-5-3-2-4-10(12)6-13(18)19/h2-5,8H,6-7H2,1H3,(H,18,19)(H2,15,17,20)
InChIKeyNAZURCOTUGYKLE-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.40
Rot. Bonds5

About 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid

2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid (PubChem CID 62534041) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
PubChem CID62534041
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid
SMILESCc1nc(CNC(=O)Nc2ccccc2CC(=O)O)cs1
InChIInChI=1S/C14H15N3O3S/c1-9-16-11(8-21-9)7-15-14(20)17-12-5-3-2-4-10(12)6-13(18)19/h2-5,8H,6-7H2,1H3,(H,18,19)(H2,15,17,20)
InChIKeyNAZURCOTUGYKLE-UHFFFAOYSA-N
XLogP2.40
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]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-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 65199403
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
N-(2-ethylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9123420
2-[2-(1,3-thiazol-4-ylmethylcarbamoylamino)phenyl]acetic acid
CID 63825227
2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28781106
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide
CID 104897686
1-(3-aminophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 54962762
2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780978
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 47290668
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylphenyl)acetamide
CID 29454554

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid (CID 62534041) is 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid is Cc1nc(CNC(=O)Nc2ccccc2CC(=O)O)cs1.
What is the InChIKey of 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid?
The InChIKey is NAZURCOTUGYKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-16-11(8-21-9)7-15-14(20)17-12-5-3-2-4-10(12)6-13(18)19/h2-5,8H,6-7H2,1H3,(H,18,19)(H2,15,17,20).
What are the key properties of 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid?
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid has a molecular weight of 305.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 62534041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).