(4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C14H12N2O2S — CID 58797633

IUPAC(4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESNc1ccc2cc(C3=N[C@@H](C(=O)O)CS3)ccc2c1
InChIInChI=1S/C14H12N2O2S/c15-11-4-3-8-5-10(2-1-9(8)6-11)13-16-12(7-19-13)14(17)18/h1-6,12H,7,15H2,(H,17,18)/t12-/m1/s1
InChIKeyOEVODZVUHNDRET-GFCCVEGCSA-N
MW272.33 g/mol
LogP2.37
Rot. Bonds2

About (4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 58797633) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is (4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID58797633
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name(4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESNc1ccc2cc(C3=N[C@@H](C(=O)O)CS3)ccc2c1
InChIInChI=1S/C14H12N2O2S/c15-11-4-3-8-5-10(2-1-9(8)6-11)13-16-12(7-19-13)14(17)18/h1-6,12H,7,15H2,(H,17,18)/t12-/m1/s1
InChIKeyOEVODZVUHNDRET-GFCCVEGCSA-N
XLogP2.37
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 58797633) is (4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is Nc1ccc2cc(C3=N[C@@H](C(=O)O)CS3)ccc2c1.
What is the InChIKey of (4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is OEVODZVUHNDRET-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H12N2O2S/c15-11-4-3-8-5-10(2-1-9(8)6-11)13-16-12(7-19-13)14(17)18/h1-6,12H,7,15H2,(H,17,18)/t12-/m1/s1.
What are the key properties of (4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(6-aminonaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 58797633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).