4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole

C9H17NS — CID 130420194

IUPAC4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole
SMILESCCC(C)C1=C(C)SC(C)N1
InChIInChI=1S/C9H17NS/c1-5-6(2)9-7(3)11-8(4)10-9/h6,8,10H,5H2,1-4H3
InChIKeyRZBPCIYLVFKGSQ-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.95
Rot. Bonds2

About 4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole

4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole (PubChem CID 130420194) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole
PubChem CID130420194
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole
SMILESCCC(C)C1=C(C)SC(C)N1
InChIInChI=1S/C9H17NS/c1-5-6(2)9-7(3)11-8(4)10-9/h6,8,10H,5H2,1-4H3
InChIKeyRZBPCIYLVFKGSQ-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-butan-2-yl-2,5-dimethyl-2,3-dihydro-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 4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole (CID 130420194) is 4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole is CCC(C)C1=C(C)SC(C)N1.
What is the InChIKey of 4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole?
The InChIKey is RZBPCIYLVFKGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-5-6(2)9-7(3)11-8(4)10-9/h6,8,10H,5H2,1-4H3.
What are the key properties of 4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole?
4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole has a molecular weight of 171.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2,5-dimethyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 130420194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).