2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile

C23H22ClN5S2 — CID 166932744

IUPAC2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(-c2cccc(Sc3cnc(N4CCC5(CCCC5)CC4)cn3)c2Cl)n1
InChIInChI=1S/C23H22ClN5S2/c24-21-17(22-28-16(12-25)15-30-22)4-3-5-18(21)31-20-14-26-19(13-27-20)29-10-8-23(9-11-29)6-1-2-7-23/h3-5,13-15H,1-2,6-11H2
InChIKeyJUWIZIARVXTOCZ-UHFFFAOYSA-N
MW468.05 g/mol
LogP6.44
Rot. Bonds4

About 2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile

2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile (PubChem CID 166932744) has the molecular formula C23H22ClN5S2 and a molecular weight of 468.05 g/mol. Its IUPAC name is 2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile
PubChem CID166932744
Molecular FormulaC23H22ClN5S2
Molecular Weight468.05 g/mol
Exact Mass467.10
IUPAC Name2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile
SMILESN#Cc1csc(-c2cccc(Sc3cnc(N4CCC5(CCCC5)CC4)cn3)c2Cl)n1
InChIInChI=1S/C23H22ClN5S2/c24-21-17(22-28-16(12-25)15-30-22)4-3-5-18(21)31-20-14-26-19(13-27-20)29-10-8-23(9-11-29)6-1-2-7-23/h3-5,13-15H,1-2,6-11H2
InChIKeyJUWIZIARVXTOCZ-UHFFFAOYSA-N
XLogP6.44
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.05
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile
CID 145210242
N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide
CID 166932794
8-[5-[[4-chloro-2-(pyrazin-2-ylmethyl)-1H-benzimidazol-5-yl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane
CID 167307551
8-[5-[[4-chloro-2-(oxolan-3-yloxy)-1H-benzimidazol-5-yl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane
CID 167307783
8-[5-(4-bromo-3-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decane
CID 145210227
[1-[5-(2-chloro-3-methylphenyl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methanamine
CID 174250435
3-(3-amino-2-chlorophenyl)sulfanyl-6-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-amine;2-methylpropane;thiohydroxylamine
CID 144887467
[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanylphenyl]methanol
CID 145210172
3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chloro-N-[1-(2-methyl-4-methylidenepyrido[1,2-a]pyrimidin-3-yl)ethenyl]aniline
CID 166932745
6-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-(1H-benzimidazol-2-ylmethyl)-5-chloro-4-methylidenequinazoline
CID 167307497
1'-[5-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
CID 166781280
(3S,4S)-8-[5-[2-chloro-3-(2,3-dihydro-1,3-thiazol-4-yl)phenyl]sulfanylpyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 166932859

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile?
The IUPAC name of 2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile (CID 166932744) is 2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile?
The canonical SMILES for 2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile is N#Cc1csc(-c2cccc(Sc3cnc(N4CCC5(CCCC5)CC4)cn3)c2Cl)n1.
What is the InChIKey of 2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile?
The InChIKey is JUWIZIARVXTOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5S2/c24-21-17(22-28-16(12-25)15-30-22)4-3-5-18(21)31-20-14-26-19(13-27-20)29-10-8-23(9-11-29)6-1-2-7-23/h3-5,13-15H,1-2,6-11H2.
What are the key properties of 2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile?
2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile has a molecular weight of 468.05 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 166932744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).