9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol

C17H25N7OS — CID 171906689

IUPAC9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol
SMILESCN(C)c1nsc(N2CCC3(CC2)CC(O)CN(c2cnccn2)C3)n1
InChIInChI=1S/C17H25N7OS/c1-22(2)15-20-16(26-21-15)23-7-3-17(4-8-23)9-13(25)11-24(12-17)14-10-18-5-6-19-14/h5-6,10,13,25H,3-4,7-9,11-12H2,1-2H3
InChIKeyLDWYGSVTQBRMOE-UHFFFAOYSA-N
MW375.50 g/mol
LogP1.25
Rot. Bonds3

About 9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol

9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol (PubChem CID 171906689) has the molecular formula C17H25N7OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol
PubChem CID171906689
Molecular FormulaC17H25N7OS
Molecular Weight375.50 g/mol
Exact Mass375.18
IUPAC Name9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol
SMILESCN(C)c1nsc(N2CCC3(CC2)CC(O)CN(c2cnccn2)C3)n1
InChIInChI=1S/C17H25N7OS/c1-22(2)15-20-16(26-21-15)23-7-3-17(4-8-23)9-13(25)11-24(12-17)14-10-18-5-6-19-14/h5-6,10,13,25H,3-4,7-9,11-12H2,1-2H3
InChIKeyLDWYGSVTQBRMOE-UHFFFAOYSA-N
XLogP1.25
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-9-(3-methylbutyl)-2,9-diazaspiro[5.5]undecan-4-ol
CID 176505376
N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide
CID 171914203
1-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 171908625
3-propan-2-yl-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,2,4-thiadiazole
CID 133335405
6-[4-[1-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]piperidin-1-yl]-N-(1-methylcyclopropyl)pyridine-3-carboxamide
CID 25013012
9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72860013
N,N-dimethyl-4-(4-pyrazin-2-ylmorpholin-2-yl)pyrimidin-2-amine
CID 110258052
(5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 95203740
2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 56750395
(3S,6R)-2,2,6-trimethyl-6-[(3R)-8-pyrazin-2-yl-2-oxa-8-azaspiro[4.5]decan-3-yl]oxan-3-ol
CID 110142924
(3S)-N-methyl-1-pyrazin-2-ylpiperidin-3-amine
CID 94476433
2-(2-methylpropyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecane
CID 97484598

Frequently Asked Questions

What is the IUPAC name of 9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol?
The IUPAC name of 9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol (CID 171906689) is 9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol.
What is the SMILES notation for 9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol?
The canonical SMILES for 9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol is CN(C)c1nsc(N2CCC3(CC2)CC(O)CN(c2cnccn2)C3)n1.
What is the InChIKey of 9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol?
The InChIKey is LDWYGSVTQBRMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7OS/c1-22(2)15-20-16(26-21-15)23-7-3-17(4-8-23)9-13(25)11-24(12-17)14-10-18-5-6-19-14/h5-6,10,13,25H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol?
9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol has a molecular weight of 375.50 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 171906689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).