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

C8H13NOS — CID 116891275

IUPAC2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol
SMILESCCC(CO)c1csc(C)n1
InChIInChI=1S/C8H13NOS/c1-3-7(4-10)8-5-11-6(2)9-8/h5,7,10H,3-4H2,1-2H3
InChIKeyTWKYHJHRPZIIIM-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.94
Rot. Bonds3

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

2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol (PubChem CID 116891275) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol
PubChem CID116891275
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol
SMILESCCC(CO)c1csc(C)n1
InChIInChI=1S/C8H13NOS/c1-3-7(4-10)8-5-11-6(2)9-8/h5,7,10H,3-4H2,1-2H3
InChIKeyTWKYHJHRPZIIIM-UHFFFAOYSA-N
XLogP1.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol 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-(2-methyl-1,3-thiazol-4-yl)propane-1,3-diol
CID 58328504
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]butan-1-ol
CID 116891278
2-iodo-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 137495706
(2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol
CID 103922658
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
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol
CID 115748046
(1R)-2-amino-1-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 28819519
4-(dibromomethyl)-2-methyl-1,3-thiazole
CID 119088205
1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 105078510
(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
CID 55296429

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol (CID 116891275) is 2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol is CCC(CO)c1csc(C)n1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol?
The InChIKey is TWKYHJHRPZIIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-3-7(4-10)8-5-11-6(2)9-8/h5,7,10H,3-4H2,1-2H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol?
2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol has a molecular weight of 171.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)butan-1-ol is sourced from PubChem (CID 116891275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).