2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole

C13H24N2S — CID 129141128

IUPAC2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESCCCC(C)(CC)C1CN(C2=NCCS2)C1
InChIInChI=1S/C13H24N2S/c1-4-6-13(3,5-2)11-9-15(10-11)12-14-7-8-16-12/h11H,4-10H2,1-3H3
InChIKeyKWELYEPCQDAWEW-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.24
Rot. Bonds4

About 2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole

2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole (PubChem CID 129141128) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole
PubChem CID129141128
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole
SMILESCCCC(C)(CC)C1CN(C2=NCCS2)C1
InChIInChI=1S/C13H24N2S/c1-4-6-13(3,5-2)11-9-15(10-11)12-14-7-8-16-12/h11H,4-10H2,1-3H3
InChIKeyKWELYEPCQDAWEW-UHFFFAOYSA-N
XLogP3.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(3-methylhexan-3-yl)azetidin-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-Propan-2-ylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 89432899
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-tert-butylazetidin-1-yl)-5,6-dihydro-4H-1,3-thiazine
CID 177262349

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole (CID 129141128) is 2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole is CCCC(C)(CC)C1CN(C2=NCCS2)C1.
What is the InChIKey of 2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole?
The InChIKey is KWELYEPCQDAWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-6-13(3,5-2)11-9-15(10-11)12-14-7-8-16-12/h11H,4-10H2,1-3H3.
What are the key properties of 2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole?
2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole has a molecular weight of 240.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methylhexan-3-yl)azetidin-1-yl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 129141128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).