2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole

C7H13NS — CID 14701079

IUPAC2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole
SMILESCC(C)CC1N=CCS1
InChIInChI=1S/C7H13NS/c1-6(2)5-7-8-3-4-9-7/h3,6-7H,4-5H2,1-2H3
InChIKeyHNGAQXOAPFFRPE-UHFFFAOYSA-N
MW143.25 g/mol
LogP2.18
Rot. Bonds2

About 2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole

2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole (PubChem CID 14701079) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole
PubChem CID14701079
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole
SMILESCC(C)CC1N=CCS1
InChIInChI=1S/C7H13NS/c1-6(2)5-7-8-3-4-9-7/h3,6-7H,4-5H2,1-2H3
InChIKeyHNGAQXOAPFFRPE-UHFFFAOYSA-N
XLogP2.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-methylpropyl)-2,5-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 2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole (CID 14701079) is 2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole is CC(C)CC1N=CCS1.
What is the InChIKey of 2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole?
The InChIKey is HNGAQXOAPFFRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-6(2)5-7-8-3-4-9-7/h3,6-7H,4-5H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole?
2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole has a molecular weight of 143.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole is sourced from PubChem (CID 14701079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).