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

C11H13NOS2 — CID 82117281

IUPAC2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol
SMILESCC(CO)Cc1nc(-c2cccs2)cs1
InChIInChI=1S/C11H13NOS2/c1-8(6-13)5-11-12-9(7-15-11)10-3-2-4-14-10/h2-4,7-8,13H,5-6H2,1H3
InChIKeyCANBMWCUNTVFKT-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.04
Rot. Bonds4

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

2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol (PubChem CID 82117281) has the molecular formula C11H13NOS2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol
PubChem CID82117281
Molecular FormulaC11H13NOS2
Molecular Weight239.36 g/mol
Exact Mass239.04
IUPAC Name2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol
SMILESCC(CO)Cc1nc(-c2cccs2)cs1
InChIInChI=1S/C11H13NOS2/c1-8(6-13)5-11-12-9(7-15-11)10-3-2-4-14-10/h2-4,7-8,13H,5-6H2,1H3
InChIKeyCANBMWCUNTVFKT-UHFFFAOYSA-N
XLogP3.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-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

3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol
CID 116969681
3-methyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanoic acid
CID 116968699
3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylpropan-1-ol
CID 82123236
2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butanoic acid
CID 116969594
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103012
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 111542537
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 9173961
3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol
CID 116968907
2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965205
1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 62652862
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of 2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol (CID 82117281) is 2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol is CC(CO)Cc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is CANBMWCUNTVFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS2/c1-8(6-13)5-11-12-9(7-15-11)10-3-2-4-14-10/h2-4,7-8,13H,5-6H2,1H3.
What are the key properties of 2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol?
2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 82117281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).