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

C15H19NOS — CID 82121806

IUPAC3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol
SMILESCc1ccc(-c2csc(C(C)CCO)n2)c(C)c1
InChIInChI=1S/C15H19NOS/c1-10-4-5-13(12(3)8-10)14-9-18-15(16-14)11(2)6-7-17/h4-5,8-9,11,17H,6-7H2,1-3H3
InChIKeyDSFARHVWWBSILL-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.91
Rot. Bonds4

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

3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol (PubChem CID 82121806) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol
PubChem CID82121806
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol
SMILESCc1ccc(-c2csc(C(C)CCO)n2)c(C)c1
InChIInChI=1S/C15H19NOS/c1-10-4-5-13(12(3)8-10)14-9-18-15(16-14)11(2)6-7-17/h4-5,8-9,11,17H,6-7H2,1-3H3
InChIKeyDSFARHVWWBSILL-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

3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116965045
[1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropyl]methanol
CID 116966908
4-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 55027261
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-amine
CID 116965093
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
CID 3627689
(3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol
CID 101486525
4-(2,4-dimethylphenyl)-2-methoxy-1,3-thiazole
CID 116967726
1-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-amine
CID 116964953
4-(2,4-dimethylphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969941
4-(2,4-dimethylphenyl)-N-prop-2-enyl-1,3-thiazol-2-amine
CID 2059129
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61339037

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol?
The IUPAC name of 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol (CID 82121806) is 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol.
What is the SMILES notation for 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol?
The canonical SMILES for 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol is Cc1ccc(-c2csc(C(C)CCO)n2)c(C)c1.
What is the InChIKey of 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol?
The InChIKey is DSFARHVWWBSILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10-4-5-13(12(3)8-10)14-9-18-15(16-14)11(2)6-7-17/h4-5,8-9,11,17H,6-7H2,1-3H3.
What are the key properties of 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol?
3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-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 3-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]butan-1-ol is sourced from PubChem (CID 82121806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).