2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol

C7H11NOS2 — CID 115742698

IUPAC2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol
SMILESCc1csc(SC(C)CO)n1
InChIInChI=1S/C7H11NOS2/c1-5-4-10-7(8-5)11-6(2)3-9/h4,6,9H,3H2,1-2H3
InChIKeyXUJYIPQXDFZIOR-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.92
Rot. Bonds3

About 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol (PubChem CID 115742698) has the molecular formula C7H11NOS2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol
PubChem CID115742698
Molecular FormulaC7H11NOS2
Molecular Weight189.30 g/mol
Exact Mass189.03
IUPAC Name2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol
SMILESCc1csc(SC(C)CO)n1
InChIInChI=1S/C7H11NOS2/c1-5-4-10-7(8-5)11-6(2)3-9/h4,6,9H,3H2,1-2H3
InChIKeyXUJYIPQXDFZIOR-UHFFFAOYSA-N
XLogP1.92
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]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-amino-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
CID 64897892
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butanimidamide
CID 60913514
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7499825
N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline
CID 62578541
3-[(4-bromo-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
CID 79399901
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pentan-3-amine
CID 64650376
3-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]butan-1-ol
CID 83157118
2-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol
CID 127002555
(2R)-N-tert-butyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 40707204
5-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 47155489
4-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]aniline
CID 61261675
2-[1-(4-fluorophenyl)ethylsulfanyl]-4-methyl-1,3-thiazole
CID 112786550

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol?
The IUPAC name of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol (CID 115742698) is 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol.
What is the SMILES notation for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol?
The canonical SMILES for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol is Cc1csc(SC(C)CO)n1.
What is the InChIKey of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol?
The InChIKey is XUJYIPQXDFZIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS2/c1-5-4-10-7(8-5)11-6(2)3-9/h4,6,9H,3H2,1-2H3.
What are the key properties of 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol?
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-1-ol is sourced from PubChem (CID 115742698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).