spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane]

C12H18N2S — CID 96606167

IUPACspiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane]
SMILESc1nsc2c1CNCC21CCCCCC1
InChIInChI=1S/C12H18N2S/c1-2-4-6-12(5-3-1)9-13-7-10-8-14-15-11(10)12/h8,13H,1-7,9H2
InChIKeyIHVUNXNYAMRBCR-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.84
Rot. Bonds

About spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane]

spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane] (PubChem CID 96606167) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane].

Molecular Properties

Compound Namespiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane]
PubChem CID96606167
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Namespiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane]
SMILESc1nsc2c1CNCC21CCCCCC1
InChIInChI=1S/C12H18N2S/c1-2-4-6-12(5-3-1)9-13-7-10-8-14-15-11(10)12/h8,13H,1-7,9H2
InChIKeyIHVUNXNYAMRBCR-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane] with MolForge

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Related Compounds

spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cyclopropane]
CID 96633509
2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane]
CID 84709451
1-methylspiro[5,6-dihydro-4H-pyrazolo[4,5-c]pyridine-7,1'-cyclohexane]
CID 96617702
5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 82128708
propane;spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 123656510
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 11242950
2-azaspiro[4.4]nonan-4-one
CID 21494522
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
CID 71304013
6-azaspiro[3.4]octan-8-one
CID 131166798
4,5-bis(ethenyl)-2-azaspiro[5.5]undec-4-ene
CID 146383239
8-methylspiro[3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene-13,1'-cyclopentane]
CID 142978817
6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
CID 76848698

Frequently Asked Questions

What is the IUPAC name of spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane]?
The IUPAC name of spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane] (CID 96606167) is spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane].
What is the SMILES notation for spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane]?
The canonical SMILES for spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane] is c1nsc2c1CNCC21CCCCCC1.
What is the InChIKey of spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane]?
The InChIKey is IHVUNXNYAMRBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-4-6-12(5-3-1)9-13-7-10-8-14-15-11(10)12/h8,13H,1-7,9H2.
What are the key properties of spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane]?
spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane] has a molecular weight of 222.36 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,6-dihydro-4H-[1,2]thiazolo[4,5-c]pyridine-7,1'-cycloheptane] is sourced from PubChem (CID 96606167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).