[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol

C7H12N2S2 — CID 139923614

IUPAC[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol
SMILESSCC1CN(C2=NCCS2)C1
InChIInChI=1S/C7H12N2S2/c10-5-6-3-9(4-6)7-8-1-2-11-7/h6,10H,1-5H2
InChIKeyLRXBPLQEZMYITP-UHFFFAOYSA-N
MW188.32 g/mol
LogP0.95
Rot. Bonds1

About [1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol

[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol (PubChem CID 139923614) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is [1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol.

Molecular Properties

Compound Name[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol
PubChem CID139923614
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC Name[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol
SMILESSCC1CN(C2=NCCS2)C1
InChIInChI=1S/C7H12N2S2/c10-5-6-3-9(4-6)7-8-1-2-11-7/h6,10H,1-5H2
InChIKeyLRXBPLQEZMYITP-UHFFFAOYSA-N
XLogP0.95
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 50.95
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-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
2-(3-Ethylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 129141127
1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol
CID 139962056
1-(4,5-Dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride
CID 142513971
1-[4,5-Dihydro-1,3-thiazol-2-yl(methyl)amino]propane-2-thiol
CID 142894457
Ethane;2-(3-methylazetidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 143658662
methyl N-methyl-3-sulfanylazetidine-1-carboximidothioate
CID 146334494

Frequently Asked Questions

What is the IUPAC name of [1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol?
The IUPAC name of [1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol (CID 139923614) is [1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol.
What is the SMILES notation for [1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol?
The canonical SMILES for [1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol is SCC1CN(C2=NCCS2)C1.
What is the InChIKey of [1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol?
The InChIKey is LRXBPLQEZMYITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S2/c10-5-6-3-9(4-6)7-8-1-2-11-7/h6,10H,1-5H2.
What are the key properties of [1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol?
[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol has a molecular weight of 188.32 g/mol, XLogP of 0.95, 1 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)azetidin-3-yl]methanethiol is sourced from PubChem (CID 139923614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).