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

C13H15NOS2 — CID 116867448

IUPAC[4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol
SMILESCC(C)Sc1ccc(-c2csc(CO)n2)cc1
InChIInChI=1S/C13H15NOS2/c1-9(2)17-11-5-3-10(4-6-11)12-8-16-13(7-15)14-12/h3-6,8-9,15H,7H2,1-2H3
InChIKeyVJMIOTZUZSFYHT-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.80
Rot. Bonds4

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

[4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol (PubChem CID 116867448) has the molecular formula C13H15NOS2 and a molecular weight of 265.40 g/mol. Its IUPAC name is [4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol
PubChem CID116867448
Molecular FormulaC13H15NOS2
Molecular Weight265.40 g/mol
Exact Mass265.06
IUPAC Name[4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol
SMILESCC(C)Sc1ccc(-c2csc(CO)n2)cc1
InChIInChI=1S/C13H15NOS2/c1-9(2)17-11-5-3-10(4-6-11)12-8-16-13(7-15)14-12/h3-6,8-9,15H,7H2,1-2H3
InChIKeyVJMIOTZUZSFYHT-UHFFFAOYSA-N
XLogP3.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]ethanol
CID 116867767
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol
CID 82123236
[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]methanol
CID 53485878
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 116970137
2-(bromomethyl)-4-(4-ethylsulfanylphenyl)-1,3-thiazole
CID 116970338
[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]methanol
CID 71998381
4-propan-2-ylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 16875244
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4264597
N,N-dimethyl-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 47302358
4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]benzoic acid
CID 58256826
4-(4-ethylsulfanylphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969974
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505

Frequently Asked Questions

What is the IUPAC name of [4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol?
The IUPAC name of [4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol (CID 116867448) is [4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol.
What is the SMILES notation for [4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol?
The canonical SMILES for [4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol is CC(C)Sc1ccc(-c2csc(CO)n2)cc1.
What is the InChIKey of [4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol?
The InChIKey is VJMIOTZUZSFYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS2/c1-9(2)17-11-5-3-10(4-6-11)12-8-16-13(7-15)14-12/h3-6,8-9,15H,7H2,1-2H3.
What are the key properties of [4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol?
[4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol has a molecular weight of 265.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]methanol is sourced from PubChem (CID 116867448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).