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

C9H15NOS2 — CID 79176475

IUPAC2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-2-ol
SMILESCc1csc(SCCC(C)(C)O)n1
InChIInChI=1S/C9H15NOS2/c1-7-6-13-8(10-7)12-5-4-9(2,3)11/h6,11H,4-5H2,1-3H3
InChIKeyRXVWOBMEGNBKBW-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.70
Rot. Bonds4

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

2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-2-ol (PubChem CID 79176475) has the molecular formula C9H15NOS2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-2-ol
PubChem CID79176475
Molecular FormulaC9H15NOS2
Molecular Weight217.36 g/mol
Exact Mass217.06
IUPAC Name2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-2-ol
SMILESCc1csc(SCCC(C)(C)O)n1
InChIInChI=1S/C9H15NOS2/c1-7-6-13-8(10-7)12-5-4-9(2,3)11/h6,11H,4-5H2,1-3H3
InChIKeyRXVWOBMEGNBKBW-UHFFFAOYSA-N
XLogP2.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]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 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-2-ol?
The IUPAC name of 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-2-ol (CID 79176475) is 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-2-ol is Cc1csc(SCCC(C)(C)O)n1.
What is the InChIKey of 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-2-ol?
The InChIKey is RXVWOBMEGNBKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS2/c1-7-6-13-8(10-7)12-5-4-9(2,3)11/h6,11H,4-5H2,1-3H3.
What are the key properties of 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-2-ol?
2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-2-ol has a molecular weight of 217.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-2-ol is sourced from PubChem (CID 79176475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).