2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid

C15H12N2O2S — CID 175338698

IUPAC2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid
SMILESNc1nc(CC(=O)O)c(-c2cccc3ccccc23)s1
InChIInChI=1S/C15H12N2O2S/c16-15-17-12(8-13(18)19)14(20-15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,16,17)(H,18,19)
InChIKeyOOEBUHXIRPJLBJ-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.17
Rot. Bonds3

About 2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid

2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid (PubChem CID 175338698) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid
PubChem CID175338698
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid
SMILESNc1nc(CC(=O)O)c(-c2cccc3ccccc23)s1
InChIInChI=1S/C15H12N2O2S/c16-15-17-12(8-13(18)19)14(20-15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,16,17)(H,18,19)
InChIKeyOOEBUHXIRPJLBJ-UHFFFAOYSA-N
XLogP3.17
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide
CID 175338696
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid
CID 5228414
2-[2-amino-5-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 174620531
4-methyl-5-naphthalen-1-yl-1,3-thiazole-2-carboxylic acid
CID 59337820
2,5-dinaphthalen-1-yl-3,4-diphenylthiophene
CID 23626359
ethyl 2-amino-4-naphthalen-1-yl-1,3-thiazole-5-carboxylate
CID 53440975
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
4-(aminomethyl)-5-(2-fluorophenyl)-1,3-thiazol-2-amine
CID 133054887
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
5-phenyl-1,3-thiazole-2,4-diamine
CID 10275
5-naphthalen-1-yl-1,3-thiazol-2-amine
CID 17015170
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid?
The IUPAC name of 2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid (CID 175338698) is 2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid is Nc1nc(CC(=O)O)c(-c2cccc3ccccc23)s1.
What is the InChIKey of 2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid?
The InChIKey is OOEBUHXIRPJLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c16-15-17-12(8-13(18)19)14(20-15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H2,16,17)(H,18,19).
What are the key properties of 2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid?
2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid has a molecular weight of 284.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-naphthalen-1-yl-1,3-thiazol-4-yl)acetic acid is sourced from PubChem (CID 175338698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).