2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine

C7H12N2S — CID 12826604

IUPAC2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine
SMILESC1CCN2CCSC2=NC1
InChIInChI=1S/C7H12N2S/c1-2-4-9-5-6-10-7(9)8-3-1/h1-6H2
InChIKeySCIAEODYCSHPNQ-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.18
Rot. Bonds

About 2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine

2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine (PubChem CID 12826604) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine
PubChem CID12826604
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine
SMILESC1CCN2CCSC2=NC1
InChIInChI=1S/C7H12N2S/c1-2-4-9-5-6-10-7(9)8-3-1/h1-6H2
InChIKeySCIAEODYCSHPNQ-UHFFFAOYSA-N
XLogP1.18
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylimino-3,5-dimethylthiazolidine
CID 12718849
5-Methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide
CID 17389266
2-(Pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 12320961
methyl N-methylpyrrolidine-1-carboximidothioate
CID 12377315
2,3,6,7-Tetrahydro-5H-thiazolo[3,2-a]pyrimidine
CID 12826602
1-(4,5-Dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol
CID 141914299
(3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol
CID 150983894
propyl N-ethylpyrrolidine-1-carboximidothioate
CID 3514430
5-Methyl-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 3571632
3-ethyl-N,5-dimethyl-1,3-thiazolidin-2-imine
CID 12718850
N,5-dimethyl-3-propyl-1,3-thiazolidin-2-imine
CID 12718851
(3,5-Dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium
CID 12718861

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine?
The IUPAC name of 2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine (CID 12826604) is 2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine is C1CCN2CCSC2=NC1.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine?
The InChIKey is SCIAEODYCSHPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-2-4-9-5-6-10-7(9)8-3-1/h1-6H2.
What are the key properties of 2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine?
2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine has a molecular weight of 156.25 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine is sourced from PubChem (CID 12826604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).