4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid

C14H16N2O2S — CID 114127990

IUPAC4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid
SMILESCc1ccc(C(=O)O)c(NCC(C)c2nccs2)c1
InChIInChI=1S/C14H16N2O2S/c1-9-3-4-11(14(17)18)12(7-9)16-8-10(2)13-15-5-6-19-13/h3-7,10,16H,8H2,1-2H3,(H,17,18)
InChIKeyFHRQHHFVNGSABY-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.37
Rot. Bonds5

About 4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid

4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid (PubChem CID 114127990) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid.

Molecular Properties

Compound Name4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid
PubChem CID114127990
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid
SMILESCc1ccc(C(=O)O)c(NCC(C)c2nccs2)c1
InChIInChI=1S/C14H16N2O2S/c1-9-3-4-11(14(17)18)12(7-9)16-8-10(2)13-15-5-6-19-13/h3-7,10,16H,8H2,1-2H3,(H,17,18)
InChIKeyFHRQHHFVNGSABY-UHFFFAOYSA-N
XLogP3.37
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic 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-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid
CID 62710645
5-amino-6-[2-(1,3-thiazol-2-yl)propylamino]pyridine-3-carboxylic acid
CID 114129018
1,3-dimethyl-5-[2-(1,3-thiazol-2-yl)propylamino]pyrazole-4-carboxylic acid
CID 114129140
3-chloro-N-[2-(1,3-thiazol-2-yl)propyl]pyridin-4-amine
CID 104577268
4-fluoro-1-N-[2-(1,3-thiazol-2-yl)propyl]benzene-1,2-diamine
CID 114127004
4-methyl-2-(3-methylbutan-2-ylamino)benzoic acid
CID 62710762
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid
CID 55107787
3-hydroxy-2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 104583096
2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 81004513
2-(4-hydroxypentylamino)-4-methylbenzoic acid
CID 106136495

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid?
The IUPAC name of 4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid (CID 114127990) is 4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid.
What is the SMILES notation for 4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid?
The canonical SMILES for 4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid is Cc1ccc(C(=O)O)c(NCC(C)c2nccs2)c1.
What is the InChIKey of 4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid?
The InChIKey is FHRQHHFVNGSABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-3-4-11(14(17)18)12(7-9)16-8-10(2)13-15-5-6-19-13/h3-7,10,16H,8H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid?
4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid has a molecular weight of 276.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid is sourced from PubChem (CID 114127990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).