2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid

C16H14N2O3S — CID 9148727

IUPAC2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NCc2c(O)ccc3ccccc23)n1
InChIInChI=1S/C16H14N2O3S/c19-14-6-5-10-3-1-2-4-12(10)13(14)8-17-16-18-11(9-22-16)7-15(20)21/h1-6,9,19H,7-8H2,(H,17,18)(H,20,21)
InChIKeyRYJROOMFTGXGLM-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.24
Rot. Bonds5

About 2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 9148727) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID9148727
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NCc2c(O)ccc3ccccc23)n1
InChIInChI=1S/C16H14N2O3S/c19-14-6-5-10-3-1-2-4-12(10)13(14)8-17-16-18-11(9-22-16)7-15(20)21/h1-6,9,19H,7-8H2,(H,17,18)(H,20,21)
InChIKeyRYJROOMFTGXGLM-UHFFFAOYSA-N
XLogP3.24
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-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

2-[2-[(2-bromophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575894
2-[(2-hydroxynaphthalen-1-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9149242
2-[2-[(4-methoxyphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 9148773
2-[2-[(2,5-difluorophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80576016
2-[2-[2-(2-fluorophenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575585
2-[2-(4-phenylanilino)-1,3-thiazol-4-yl]acetic acid
CID 58795522
1-[(acridin-9-ylamino)methyl]naphthalen-2-ol
CID 52939432
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
2-[2-[3-(N-methylanilino)propylamino]-1,3-thiazol-4-yl]acetic acid
CID 80573782
2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 87418022
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
2-[2-[(1-methylpyrazol-4-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575860

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid (CID 9148727) is 2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NCc2c(O)ccc3ccccc23)n1.
What is the InChIKey of 2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is RYJROOMFTGXGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c19-14-6-5-10-3-1-2-4-12(10)13(14)8-17-16-18-11(9-22-16)7-15(20)21/h1-6,9,19H,7-8H2,(H,17,18)(H,20,21).
What are the key properties of 2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 314.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxynaphthalen-1-yl)methylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 9148727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).