1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride

C14H14ClNOS — CID 135539584

IUPAC1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride
SMILESCC1CN=C(c2c(O)ccc3ccccc23)S1.Cl
InChIInChI=1S/C14H13NOS.ClH/c1-9-8-15-14(17-9)13-11-5-3-2-4-10(11)6-7-12(13)16;/h2-7,9,16H,8H2,1H3;1H
InChIKeyCJEMPQBVJPQVQF-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.85
Rot. Bonds1

About 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride

1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride (PubChem CID 135539584) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride
PubChem CID135539584
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride
SMILESCC1CN=C(c2c(O)ccc3ccccc23)S1.Cl
InChIInChI=1S/C14H13NOS.ClH/c1-9-8-15-14(17-9)13-11-5-3-2-4-10(11)6-7-12(13)16;/h2-7,9,16H,8H2,1H3;1H
InChIKeyCJEMPQBVJPQVQF-UHFFFAOYSA-N
XLogP3.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-allyl-3-[[(Z)-(2-keto-1-naphthylidene)methyl]amino]isothiourea
CID 135650615
3-[(4S,5S)-4-(hydroxymethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]naphthalen-2-ol
CID 145965940
(E)-methyl 2-((2-hydroxynaphthalen-1-yl)methylene)hydrazinecarbimidothioate
CID 135412250
(4R)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 135453921
(4S)-2-(3-hydroxynaphthalen-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 135496298
(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
3-(7-Hydroxynaphthyl)-2-thiazole-4-carboxylic acid
CID 195364
1-(2-Sulfanylethyliminomethyl)naphthalen-2-ol
CID 353706
1-(Cyclopropyliminomethyl)naphthalen-2-ol
CID 4848190
2-Naphthalenol, 1-(iminomethyl)-
CID 5214161
(2-Hydroxynaphthalen-1-yl)methyl diethylcarbamodithioate
CID 20366438

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride?
The IUPAC name of 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride (CID 135539584) is 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride.
What is the SMILES notation for 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride?
The canonical SMILES for 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride is CC1CN=C(c2c(O)ccc3ccccc23)S1.Cl.
What is the InChIKey of 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride?
The InChIKey is CJEMPQBVJPQVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS.ClH/c1-9-8-15-14(17-9)13-11-5-3-2-4-10(11)6-7-12(13)16;/h2-7,9,16H,8H2,1H3;1H.
What are the key properties of 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride?
1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride has a molecular weight of 279.79 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)naphthalen-2-ol;hydrochloride is sourced from PubChem (CID 135539584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).