spiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine

C12H18N2S — CID 11514089

IUPACspiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine
SMILESNc1nc2c(s1)CCCCC21CCCC1
InChIInChI=1S/C12H18N2S/c13-11-14-10-9(15-11)5-1-2-6-12(10)7-3-4-8-12/h1-8H2,(H2,13,14)
InChIKeyQAATZKUOPWFBSF-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.26
Rot. Bonds

About spiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine

spiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine (PubChem CID 11514089) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is spiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine.

Molecular Properties

Compound Namespiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine
PubChem CID11514089
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Namespiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine
SMILESNc1nc2c(s1)CCCCC21CCCC1
InChIInChI=1S/C12H18N2S/c13-11-14-10-9(15-11)5-1-2-6-12(10)7-3-4-8-12/h1-8H2,(H2,13,14)
InChIKeyQAATZKUOPWFBSF-UHFFFAOYSA-N
XLogP3.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine?
The IUPAC name of spiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine (CID 11514089) is spiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine.
What is the SMILES notation for spiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine?
The canonical SMILES for spiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine is Nc1nc2c(s1)CCCCC21CCCC1.
What is the InChIKey of spiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine?
The InChIKey is QAATZKUOPWFBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c13-11-14-10-9(15-11)5-1-2-6-12(10)7-3-4-8-12/h1-8H2,(H2,13,14).
What are the key properties of spiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine?
spiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine has a molecular weight of 222.36 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,6,7,8-tetrahydrocyclohepta[d][1,3]thiazole-4,1'-cyclopentane]-2-amine is sourced from PubChem (CID 11514089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).