2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid

C20H19N3O3S — CID 145489307

IUPAC2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccccc1NCc1ccc(C(=O)Nc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C20H19N3O3S/c1-13-4-2-3-5-17(13)21-11-14-6-8-15(9-7-14)19(26)23-20-22-16(12-27-20)10-18(24)25/h2-9,12,21H,10-11H2,1H3,(H,24,25)(H,22,23,26)
InChIKeyKMKZRFJJTSKQSJ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.94
Rot. Bonds7

About 2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 145489307) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID145489307
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccccc1NCc1ccc(C(=O)Nc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C20H19N3O3S/c1-13-4-2-3-5-17(13)21-11-14-6-8-15(9-7-14)19(26)23-20-22-16(12-27-20)10-18(24)25/h2-9,12,21H,10-11H2,1H3,(H,24,25)(H,22,23,26)
InChIKeyKMKZRFJJTSKQSJ-UHFFFAOYSA-N
XLogP3.94
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]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

Aminothiazole, 1
CID 9871912
Aminothiazole, 4
CID 22496371
Aminothiazole, 14
CID 22496395
Aminothiazole, 2
CID 22496412
Aminothiazole, 21
CID 22496451
Aminothiazole, 12
CID 22496557
2-((3-(3-(Dimethylamino)propyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-(4-(p-tolyl)thiazol-2-yl)acetamide
CID 2440919
[2-(4-Butyl-phenylamino)-thiazol-4-yl]-acetic acid
CID 3611794
2-[2-[[5-[[2-(Trifluoromethyl)anilino]methyl]thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 24970324
2-[2-[[5-[(2-Butylanilino)methyl]thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 25099235
2-[2-[[5-[[2-(3-Methylbutyl)anilino]methyl]thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 25099433
2-[2-[[5-[(2-Hexylanilino)methyl]thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 25099435

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid (CID 145489307) is 2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid is Cc1ccccc1NCc1ccc(C(=O)Nc2nc(CC(=O)O)cs2)cc1.
What is the InChIKey of 2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is KMKZRFJJTSKQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-13-4-2-3-5-17(13)21-11-14-6-8-15(9-7-14)19(26)23-20-22-16(12-27-20)10-18(24)25/h2-9,12,21H,10-11H2,1H3,(H,24,25)(H,22,23,26).
What are the key properties of 2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 381.46 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 145489307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).