spiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine

C8H11N3S — CID 170352167

IUPACspiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine
SMILESNc1nc2c(s1)CCC21CNC1
InChIInChI=1S/C8H11N3S/c9-7-11-6-5(12-7)1-2-8(6)3-10-4-8/h10H,1-4H2,(H2,9,11)
InChIKeyXQWSUZFEEJEVDC-UHFFFAOYSA-N
MW181.26 g/mol
LogP0.51
Rot. Bonds

About spiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine

spiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine (PubChem CID 170352167) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is spiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine.

Molecular Properties

Compound Namespiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine
PubChem CID170352167
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Namespiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine
SMILESNc1nc2c(s1)CCC21CNC1
InChIInChI=1S/C8H11N3S/c9-7-11-6-5(12-7)1-2-8(6)3-10-4-8/h10H,1-4H2,(H2,9,11)
InChIKeyXQWSUZFEEJEVDC-UHFFFAOYSA-N
XLogP0.51
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazol-2-amine
CID 45496802
(6S)-2-(3-fluoroazetidin-1-yl)-5,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-6-amine
CID 167047896
1-(4,4-Dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazol-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 136548408
4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 65046696
5,5-Dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
CID 118628243
6,6-Dimethyl-4,5-dihydrocyclopenta[d][1,3]thiazol-2-amine
CID 118628333
Tert-butyl 2-aminospiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-1'-carboxylate
CID 170352428
4,4-Di(propan-2-yl)-5,6-dihydrocyclopenta[d][1,3]thiazol-2-amine
CID 171734043
N,4-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 65046749
N-ethyl-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 65046751
4-methyl-N-propyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 65046802
4-methyl-N-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 65046855

Frequently Asked Questions

What is the IUPAC name of spiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine?
The IUPAC name of spiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine (CID 170352167) is spiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine.
What is the SMILES notation for spiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine?
The canonical SMILES for spiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine is Nc1nc2c(s1)CCC21CNC1.
What is the InChIKey of spiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine?
The InChIKey is XQWSUZFEEJEVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3S/c9-7-11-6-5(12-7)1-2-8(6)3-10-4-8/h10H,1-4H2,(H2,9,11).
What are the key properties of spiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine?
spiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine has a molecular weight of 181.26 g/mol, XLogP of 0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,6-dihydrocyclopenta[d][1,3]thiazole-4,3'-azetidine]-2-amine is sourced from PubChem (CID 170352167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).