2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid

C16H14N2O2S — CID 177377299

IUPAC2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(CCc2cccc3ccccc23)s1
InChIInChI=1S/C16H14N2O2S/c17-16-18-14(15(19)20)13(21-16)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H2,17,18)(H,19,20)
InChIKeyJHLDVUUTMWSEMF-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.36
Rot. Bonds4

About 2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid

2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 177377299) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid
PubChem CID177377299
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid
SMILESNc1nc(C(=O)O)c(CCc2cccc3ccccc23)s1
InChIInChI=1S/C16H14N2O2S/c17-16-18-14(15(19)20)13(21-16)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H2,17,18)(H,19,20)
InChIKeyJHLDVUUTMWSEMF-UHFFFAOYSA-N
XLogP3.36
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid (CID 177377299) is 2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid is Nc1nc(C(=O)O)c(CCc2cccc3ccccc23)s1.
What is the InChIKey of 2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is JHLDVUUTMWSEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c17-16-18-14(15(19)20)13(21-16)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2,(H2,17,18)(H,19,20).
What are the key properties of 2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid?
2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 298.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 177377299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).