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

C15H20N6S — CID 97484231

IUPAC2-[(5R)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
SMILESCc1cnc(N2CC[C@]3(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/t15-/m1/s1
InChIKeyVCSMQBVHVAMFHV-OAHLLOKOSA-N
MW316.43 g/mol
LogP2.13
Rot. Bonds2

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

2-[(5R)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole (PubChem CID 97484231) has the molecular formula C15H20N6S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-[(5R)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(5R)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
PubChem CID97484231
Molecular FormulaC15H20N6S
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC Name2-[(5R)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole
SMILESCc1cnc(N2CC[C@]3(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/t15-/m1/s1
InChIKeyVCSMQBVHVAMFHV-OAHLLOKOSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(5R)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole (CID 97484231) is 2-[(5R)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(5R)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(5R)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole is Cc1cnc(N2CC[C@]3(CCCN(c4nncs4)C3)C2)nc1.
What is the InChIKey of 2-[(5R)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
The InChIKey is VCSMQBVHVAMFHV-OAHLLOKOSA-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/t15-/m1/s1.
What are the key properties of 2-[(5R)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole?
2-[(5R)-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-[(5R)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-1,3,4-thiadiazole is sourced from PubChem (CID 97484231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).