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

C7H12N2S2 — CID 59719040

IUPAC2-(3-methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCSC1CN(C2=NCCS2)C1
InChIInChI=1S/C7H12N2S2/c1-10-6-4-9(5-6)7-8-2-3-11-7/h6H,2-5H2,1H3
InChIKeyXDFBGUJMNCRMGM-UHFFFAOYSA-N
MW188.32 g/mol
LogP1.14
Rot. Bonds1

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

2-(3-methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole (PubChem CID 59719040) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 2-(3-methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
PubChem CID59719040
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC Name2-(3-methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
SMILESCSC1CN(C2=NCCS2)C1
InChIInChI=1S/C7H12N2S2/c1-10-6-4-9(5-6)7-8-2-3-11-7/h6H,2-5H2,1H3
InChIKeyXDFBGUJMNCRMGM-UHFFFAOYSA-N
XLogP1.14
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3-methylsulfanylazetidin-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

1-(4,5-Dihydro-1,3-thiazol-2-yl)azetidine-3-thiol
CID 9815365
2-Methylimino-3,5-dimethylthiazolidine
CID 12718849
5-Methyl-2-N-methylethylamino-2-thiazoline
CID 588515
S-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl] ethanethioate
CID 11790619
1-(4,5-Dihydrothiazol-2-yl)azetidine-3-thiol hydrochloride
CID 11974883
N,N,5-trimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 12718867
N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 18728209
2-(Azetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 23225616
1-(4,5-Dihydro-1,3-thiazol-2-yl)azetidine-2-thiol
CID 53746082
2-(3-Methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 59936374
2-(1-Oxidoazetidin-1-ium-1-yl)-4,5-dihydro-1,3-thiazole
CID 87372140
2-(3-Ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 129141127

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(3-methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole (CID 59719040) is 2-(3-methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(3-methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(3-methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole is CSC1CN(C2=NCCS2)C1.
What is the InChIKey of 2-(3-methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
The InChIKey is XDFBGUJMNCRMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S2/c1-10-6-4-9(5-6)7-8-2-3-11-7/h6H,2-5H2,1H3.
What are the key properties of 2-(3-methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole?
2-(3-methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole has a molecular weight of 188.32 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 59719040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).