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

C14H17NOS — CID 116891278

IUPAC2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
SMILESCCC(CO)c1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C14H17NOS/c1-3-11(8-16)13-9-17-14(15-13)12-6-4-10(2)5-7-12/h4-7,9,11,16H,3,8H2,1-2H3
InChIKeyBNZUJNHFGPPOQK-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.60
Rot. Bonds4

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

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol (PubChem CID 116891278) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
PubChem CID116891278
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
SMILESCCC(CO)c1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C14H17NOS/c1-3-11(8-16)13-9-17-14(15-13)12-6-4-10(2)5-7-12/h4-7,9,11,16H,3,8H2,1-2H3
InChIKeyBNZUJNHFGPPOQK-UHFFFAOYSA-N
XLogP3.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891277
2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891287
3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891362
2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891275
(1S)-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 102442271
2-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol
CID 58328504
2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol
CID 116890605
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301
N-[1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-3-oxobutyl]-N-phenylacetamide
CID 122230694
2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]butanenitrile
CID 116891477
4-(2,3-dimethylbut-2-enyl)-2-(4-methylphenyl)-1,3-thiazole
CID 144794797

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol?
The IUPAC name of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol (CID 116891278) is 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol.
What is the SMILES notation for 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol?
The canonical SMILES for 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol is CCC(CO)c1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol?
The InChIKey is BNZUJNHFGPPOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-3-11(8-16)13-9-17-14(15-13)12-6-4-10(2)5-7-12/h4-7,9,11,16H,3,8H2,1-2H3.
What are the key properties of 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol?
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol is sourced from PubChem (CID 116891278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).