[4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol

C13H15NOS2 — CID 82429154

IUPAC[4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(CSc2ccccc2)sc1CO
InChIInChI=1S/C13H15NOS2/c1-2-11-12(8-15)17-13(14-11)9-16-10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3
InChIKeyBTUMMBCGAJUVBY-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.49
Rot. Bonds5

About [4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol

[4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 82429154) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is [4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
PubChem CID82429154
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name[4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
SMILESCCc1nc(CSc2ccccc2)sc1CO
InChIInChI=1S/C13H15NOS2/c1-2-11-12(8-15)17-13(14-11)9-16-10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3
InChIKeyBTUMMBCGAJUVBY-UHFFFAOYSA-N
XLogP3.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
CID 82440591
[2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434317
N-[[4-ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841337
N-[[2-[(3-chlorophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841219
N-[[2-[(3-bromophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841383
1-[4-ethyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841198
N-[[4-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 104841445
4-ethyl-2-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole-5-carboxylic acid
CID 113459171
4-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]-1,3-thiazole-5-carboxylic acid
CID 104838402
2-[(4-chlorophenyl)sulfanylmethyl]-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 113459181
N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206
N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431139

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol (CID 82429154) is [4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol is CCc1nc(CSc2ccccc2)sc1CO.
What is the InChIKey of [4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is BTUMMBCGAJUVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-2-11-12(8-15)17-13(14-11)9-16-10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3.
What are the key properties of [4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol?
[4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 265.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82429154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).