2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole

C11H19NS — CID 18683409

IUPAC2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)CCc1ncc(C(C)C)s1
InChIInChI=1S/C11H19NS/c1-8(2)5-6-11-12-7-10(13-11)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyARMFBWJQOHYGSV-UHFFFAOYSA-N
MW197.35 g/mol
LogP3.86
Rot. Bonds4

About 2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole

2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 18683409) has the molecular formula C11H19NS and a molecular weight of 197.35 g/mol. Its IUPAC name is 2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole
PubChem CID18683409
Molecular FormulaC11H19NS
Molecular Weight197.35 g/mol
Exact Mass197.12
IUPAC Name2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole
SMILESCC(C)CCc1ncc(C(C)C)s1
InChIInChI=1S/C11H19NS/c1-8(2)5-6-11-12-7-10(13-11)9(3)4/h7-9H,5-6H2,1-4H3
InChIKeyARMFBWJQOHYGSV-UHFFFAOYSA-N
XLogP3.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole 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-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole (CID 18683409) is 2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole is CC(C)CCc1ncc(C(C)C)s1.
What is the InChIKey of 2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is ARMFBWJQOHYGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NS/c1-8(2)5-6-11-12-7-10(13-11)9(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole?
2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 197.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 18683409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).