2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole

C9H16N2S — CID 89432899

IUPAC2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCC(C)C1CN(C2=NCCS2)C1
InChIInChI=1S/C9H16N2S/c1-7(2)8-5-11(6-8)9-10-3-4-12-9/h7-8H,3-6H2,1-2H3
InChIKeyJPTBXNNEEMONLJ-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.68
Rot. Bonds1

About 2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole

2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 89432899) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
PubChem CID89432899
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCC(C)C1CN(C2=NCCS2)C1
InChIInChI=1S/C9H16N2S/c1-7(2)8-5-11(6-8)9-10-3-4-12-9/h7-8H,3-6H2,1-2H3
InChIKeyJPTBXNNEEMONLJ-UHFFFAOYSA-N
XLogP1.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3-propan-2-ylazetidin-1-yl)-4,5-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

Related Compounds

2-(3-Methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 59936374
2-[3-(2-Methylpropyl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole
CID 123349441
2-(3-Tert-butylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 129132956
2-(3-Ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 129141127
2-[3-(3-Methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole
CID 129141128
Ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 143658662
ethyl N-methylazetidine-1-carboximidothioate;propane
CID 144990797
2-(3-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine
CID 177262349

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole (CID 89432899) is 2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole is CC(C)C1CN(C2=NCCS2)C1.
What is the InChIKey of 2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is JPTBXNNEEMONLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-7(2)8-5-11(6-8)9-10-3-4-12-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 184.31 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 89432899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).