2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole

C15H20N6S — CID 131650855

IUPAC2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
SMILESCc1cnc(N2CCC3(CCCN(c4nncs4)C3)C2)nc1
InChIInChI=1S/C15H20N6S/c1-12-7-16-13(17-8-12)20-6-4-15(9-20)3-2-5-21(10-15)14-19-18-11-22-14/h7-8,11H,2-6,9-10H2,1H3
InChIKeyVCSMQBVHVAMFHV-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.13
Rot. Bonds2

About 2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole

2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole (PubChem CID 131650855) has the molecular formula C15H20N6S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
PubChem CID131650855
Molecular FormulaC15H20N6S
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC Name2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
SMILESCc1cnc(N2CCC3(CCCN(c4nncs4)C3)C2)nc1
InChIInChI=1S/C15H20N6S/c1-12-7-16-13(17-8-12)20-6-4-15(9-20)3-2-5-21(10-15)14-19-18-11-22-14/h7-8,11H,2-6,9-10H2,1H3
InChIKeyVCSMQBVHVAMFHV-UHFFFAOYSA-N
XLogP2.13
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(5-Fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
CID 118741106
6,6-Difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 118743283
2-[10,10-Difluoro-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
CID 134077542
(5R)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 97450250
(5S)-7-(5-fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 97450251
2-[(5R)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
CID 97484223
2-[(5S)-2-(5-fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
CID 97484227
(5R)-6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 97502490
(5S)-6,6-difluoro-2-(5-fluoropyrimidin-2-yl)-9-[(1-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 97502491
7-(5-Fluoropyrimidin-2-yl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 131639650
10-Fluoro-2-[(1-methylpyrazol-4-yl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decane
CID 134077658
2-[(3aR,6aR)-1-(5-methylpyrimidin-2-yl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-1,3,4-thiadiazole
CID 125196197

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole (CID 131650855) is 2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole is Cc1cnc(N2CCC3(CCCN(c4nncs4)C3)C2)nc1.
What is the InChIKey of 2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The InChIKey is VCSMQBVHVAMFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6S/c1-12-7-16-13(17-8-12)20-6-4-15(9-20)3-2-5-21(10-15)14-19-18-11-22-14/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of 2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole has a molecular weight of 316.43 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 131650855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).