1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride

C6H11ClN2S2 — CID 142513971

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride
SMILESCl.SC1CCN1C1=NCCS1
InChIInChI=1S/C6H10N2S2.ClH/c9-5-1-3-8(5)6-7-2-4-10-6;/h5,9H,1-4H2;1H
InChIKeyCHZRITUCGPPBFB-UHFFFAOYSA-N
MW210.75 g/mol
LogP1.47
Rot. Bonds

About 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride

1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride (PubChem CID 142513971) has the molecular formula C6H11ClN2S2 and a molecular weight of 210.75 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride
PubChem CID142513971
Molecular FormulaC6H11ClN2S2
Molecular Weight210.75 g/mol
Exact Mass210.01
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride
SMILESCl.SC1CCN1C1=NCCS1
InChIInChI=1S/C6H10N2S2.ClH/c9-5-1-3-8(5)6-7-2-4-10-6;/h5,9H,1-4H2;1H
InChIKeyCHZRITUCGPPBFB-UHFFFAOYSA-N
XLogP1.47
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.75
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(4,5-Dihydro-1,3-thiazol-2-yl)azetidine-3-thiol
CID 9815365
1-(4,5-Dihydro-1,3-thiazol-2-yl)azetidin-1-ium-3-thiol chloride
CID 11031117
1-(4,5-Dihydrothiazol-2-yl)azetidine-3-thiol hydrochloride
CID 11974883
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-Methylsulfanylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 59719040
2-(3-Methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 59936374
[1-(4,5-Dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol
CID 139923614
1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol
CID 139962056
1-[4,5-Dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol
CID 142894457
methyl N-methyl-3-sulfanylazetidine-1-carboximidothioate
CID 146334494
ethyl N-methylazetidine-1-carboximidothioate
CID 144990798

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride (CID 142513971) is 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride is Cl.SC1CCN1C1=NCCS1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride?
The InChIKey is CHZRITUCGPPBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2.ClH/c9-5-1-3-8(5)6-7-2-4-10-6;/h5,9H,1-4H2;1H.
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride?
1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride has a molecular weight of 210.75 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride is sourced from PubChem (CID 142513971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).