3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol

C15H19NOS — CID 116891362

IUPAC3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
SMILESCc1ccc(-c2nc(C(CO)C(C)C)cs2)cc1
InChIInChI=1S/C15H19NOS/c1-10(2)13(8-17)14-9-18-15(16-14)12-6-4-11(3)5-7-12/h4-7,9-10,13,17H,8H2,1-3H3
InChIKeyYYFPXUOHRSWAFW-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.85
Rot. Bonds4

About 3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol

3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol (PubChem CID 116891362) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
PubChem CID116891362
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
SMILESCc1ccc(-c2nc(C(CO)C(C)C)cs2)cc1
InChIInChI=1S/C15H19NOS/c1-10(2)13(8-17)14-9-18-15(16-14)12-6-4-11(3)5-7-12/h4-7,9-10,13,17H,8H2,1-3H3
InChIKeyYYFPXUOHRSWAFW-UHFFFAOYSA-N
XLogP3.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)butan-1-ol
CID 116891375
(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 102442271
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891278
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-3-methylbutan-1-ol
CID 116891373
3-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)butan-1-ol
CID 116891359
2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol
CID 116890605
2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891277
2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole
CID 21355336
2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole
CID 20664385
N-methyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 116965441
4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole
CID 144794797
2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891287

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol?
The IUPAC name of 3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol (CID 116891362) is 3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol is Cc1ccc(-c2nc(C(CO)C(C)C)cs2)cc1.
What is the InChIKey of 3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol?
The InChIKey is YYFPXUOHRSWAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10(2)13(8-17)14-9-18-15(16-14)12-6-4-11(3)5-7-12/h4-7,9-10,13,17H,8H2,1-3H3.
What are the key properties of 3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol?
3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol is sourced from PubChem (CID 116891362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).