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

C15H19NOS — CID 116891287

IUPAC2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol
SMILESCCC(CO)c1csc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C15H19NOS/c1-4-12(8-17)14-9-18-15(16-14)13-6-5-10(2)7-11(13)3/h5-7,9,12,17H,4,8H2,1-3H3
InChIKeyVYFYHYNLOLUGII-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.91
Rot. Bonds4

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

2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol (PubChem CID 116891287) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol.

Molecular Properties

Compound Name2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol
PubChem CID116891287
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol
SMILESCCC(CO)c1csc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C15H19NOS/c1-4-12(8-17)14-9-18-15(16-14)13-6-5-10(2)7-11(13)3/h5-7,9,12,17H,4,8H2,1-3H3
InChIKeyVYFYHYNLOLUGII-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891278
2-(2-phenyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891277
2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol
CID 116891275
2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol
CID 116889620
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882858
1-[2-(4-bromo-2-methylphenyl)-1,3-thiazol-4-yl]ethanol
CID 103083716
N-[(2R)-4-amino-4-oxobutan-2-yl]-2-(2,4-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 95778148
3-methyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891362
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol
CID 82121806
4-(dimethoxymethyl)-2-(4-fluoro-2-methylphenyl)-1,3-thiazole
CID 81274426
2-amino-2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]ethanol
CID 116890605
[1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol
CID 116966908

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol?
The IUPAC name of 2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol (CID 116891287) is 2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol.
What is the SMILES notation for 2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol?
The canonical SMILES for 2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol is CCC(CO)c1csc(-c2ccc(C)cc2C)n1.
What is the InChIKey of 2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol?
The InChIKey is VYFYHYNLOLUGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-4-12(8-17)14-9-18-15(16-14)13-6-5-10(2)7-11(13)3/h5-7,9,12,17H,4,8H2,1-3H3.
What are the key properties of 2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol?
2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol has a molecular weight of 261.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethylphenyl)-1,3-thiazol-4-yl]butan-1-ol is sourced from PubChem (CID 116891287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).