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

C14H17NOS2 — CID 82434317

IUPAC[2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(CSc2ccccc2)sc1CO
InChIInChI=1S/C14H17NOS2/c1-10(2)14-12(8-16)18-13(15-14)9-17-11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3
InChIKeyVTAUFFNERMNALX-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.05
Rot. Bonds5

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

[2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 82434317) has the molecular formula C14H17NOS2 and a molecular weight of 279.43 g/mol. Its IUPAC name is [2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID82434317
Molecular FormulaC14H17NOS2
Molecular Weight279.43 g/mol
Exact Mass279.08
IUPAC Name[2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(CSc2ccccc2)sc1CO
InChIInChI=1S/C14H17NOS2/c1-10(2)14-12(8-16)18-13(15-14)9-17-11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3
InChIKeyVTAUFFNERMNALX-UHFFFAOYSA-N
XLogP4.05
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-ethyl-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
CID 82429154
[4-(methoxymethyl)-2-(phenylsulfanylmethyl)-1,3-thiazol-5-yl]methanol
CID 82440591
2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazole-5-carbothioamide
CID 82434321
[2-(ethylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434378
[2-[(4-chlorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82433809
[2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361556
[2-[(2-fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361388
[2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434183
[2-(methylsulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434467
[2-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82434850
[2-(2-methylphenyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 82433632
[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396964

Frequently Asked Questions

What is the IUPAC name of [2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 82434317) is [2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CC(C)c1nc(CSc2ccccc2)sc1CO.
What is the InChIKey of [2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is VTAUFFNERMNALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS2/c1-10(2)14-12(8-16)18-13(15-14)9-17-11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of [2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 279.43 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenylsulfanylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82434317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).