4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol

C8H13NOS — CID 79423578

IUPAC4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol
SMILESCc1ncc(CCC(C)O)s1
InChIInChI=1S/C8H13NOS/c1-6(10)3-4-8-5-9-7(2)11-8/h5-6,10H,3-4H2,1-2H3
InChIKeyGLPPVYKEOQSINC-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.76
Rot. Bonds3

About 4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol

4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol (PubChem CID 79423578) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol
PubChem CID79423578
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol
SMILESCc1ncc(CCC(C)O)s1
InChIInChI=1S/C8H13NOS/c1-6(10)3-4-8-5-9-7(2)11-8/h5-6,10H,3-4H2,1-2H3
InChIKeyGLPPVYKEOQSINC-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol?
The IUPAC name of 4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol (CID 79423578) is 4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol is Cc1ncc(CCC(C)O)s1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol?
The InChIKey is GLPPVYKEOQSINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-6(10)3-4-8-5-9-7(2)11-8/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol?
4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol has a molecular weight of 171.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 79423578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).