1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol

C7H12N2S2 — CID 139962056

IUPAC1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol
SMILESSC1CN(C2=NCCCS2)C1
InChIInChI=1S/C7H12N2S2/c10-6-4-9(5-6)7-8-2-1-3-11-7/h6,10H,1-5H2
InChIKeyLYTWDKNQLLDKNQ-UHFFFAOYSA-N
MW188.32 g/mol
LogP1.09
Rot. Bonds

About 1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol

1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol (PubChem CID 139962056) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol
PubChem CID139962056
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC Name1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol
SMILESSC1CN(C2=NCCCS2)C1
InChIInChI=1S/C7H12N2S2/c10-6-4-9(5-6)7-8-2-1-3-11-7/h6,10H,1-5H2
InChIKeyLYTWDKNQLLDKNQ-UHFFFAOYSA-N
XLogP1.09
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 51.09
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
[1-(4,5-Dihydro-1,3-thiazol-2-yl)azetidin-3-yl]methanethiol
CID 139923614
5-Thia-1,3-diazabicyclo[4.2.0]oct-2-ene
CID 141541317
1-(4,5-Dihydro-1,3-thiazol-2-yl)azetidine-2-thiol;hydrochloride
CID 142513971
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-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol?
The IUPAC name of 1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol (CID 139962056) is 1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol.
What is the SMILES notation for 1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol?
The canonical SMILES for 1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol is SC1CN(C2=NCCCS2)C1.
What is the InChIKey of 1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol?
The InChIKey is LYTWDKNQLLDKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S2/c10-6-4-9(5-6)7-8-2-1-3-11-7/h6,10H,1-5H2.
What are the key properties of 1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol?
1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol has a molecular weight of 188.32 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-1,3-thiazin-2-yl)azetidine-3-thiol is sourced from PubChem (CID 139962056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).