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

C14H11NO3S — CID 135496298

IUPAC(4S)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2cc3ccccc3cc2O)=N1
InChIInChI=1S/C14H11NO3S/c16-12-6-9-4-2-1-3-8(9)5-10(12)13-15-11(7-19-13)14(17)18/h1-6,11,16H,7H2,(H,17,18)/t11-/m1/s1
InChIKeyIHGWPSZEHBLTHB-LLVKDONJSA-N
MW273.31 g/mol
LogP2.49
Rot. Bonds2

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

(4S)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 135496298) has the molecular formula C14H11NO3S and a molecular weight of 273.31 g/mol. Its IUPAC name is (4S)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID135496298
Molecular FormulaC14H11NO3S
Molecular Weight273.31 g/mol
Exact Mass273.05
IUPAC Name(4S)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2cc3ccccc3cc2O)=N1
InChIInChI=1S/C14H11NO3S/c16-12-6-9-4-2-1-3-8(9)5-10(12)13-15-11(7-19-13)14(17)18/h1-6,11,16H,7H2,(H,17,18)/t11-/m1/s1
InChIKeyIHGWPSZEHBLTHB-LLVKDONJSA-N
XLogP2.49
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4S,5S)-4-(hydroxymethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]naphthalen-2-ol
CID 145965940
(4R)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 135453921
(4R)-2-(2-hydroxynaphthalen-1-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 135536675
(4S)-2-(2-hydroxynaphthalen-1-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 135536676
2-[[1,8-dihydroxy-3-(hydroxymethyl)-10H-anthracen-9-ylidene]amino]-4-methylsulfanylbutanoic acid
CID 136244549
2-[(1,8-dihydroxy-3-methyl-10H-anthracen-9-ylidene)amino]-3-sulfanylpropanoic acid
CID 136254411
Hoe 768159
CID 127613
3-(7-Hydroxynaphthyl)-2-thiazole-4-carboxylic acid
CID 195364
1-(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride
CID 135539584
2-(((2-Hydroxynapthalen-1-yl)methylene)amino)acetic acid
CID 364249
Methyl 2-(2-hydroxy-6-pentylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 178270767
(4S)-2-(2-hydroxy-6-pentylphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 178270769

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4S)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 135496298) is (4S)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4S)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)[C@H]1CSC(c2cc3ccccc3cc2O)=N1.
What is the InChIKey of (4S)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is IHGWPSZEHBLTHB-LLVKDONJSA-N. The full InChI is InChI=1S/C14H11NO3S/c16-12-6-9-4-2-1-3-8(9)5-10(12)13-15-11(7-19-13)14(17)18/h1-6,11,16H,7H2,(H,17,18)/t11-/m1/s1.
What are the key properties of (4S)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4S)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 135496298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).