2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole

C12H19N3S — CID 133480844

IUPAC2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(N2CCCC3(CC3)C2)s1
InChIInChI=1S/C12H19N3S/c1-2-4-10-13-14-11(16-10)15-8-3-5-12(9-15)6-7-12/h2-9H2,1H3
InChIKeyHTZNFMRTNZGPFO-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.87
Rot. Bonds3

About 2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole

2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole (PubChem CID 133480844) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole
PubChem CID133480844
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole
SMILESCCCc1nnc(N2CCCC3(CC3)C2)s1
InChIInChI=1S/C12H19N3S/c1-2-4-10-13-14-11(16-10)15-8-3-5-12(9-15)6-7-12/h2-9H2,1H3
InChIKeyHTZNFMRTNZGPFO-UHFFFAOYSA-N
XLogP2.87
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71847475
2-cyclopentyl-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70773216
2-[[(2S)-oxolan-2-yl]methyl]-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97130999
(4S)-3,3-dimethyl-4-(morpholin-4-ylmethyl)-1-(5-propyl-1,3,4-thiadiazol-2-yl)piperidin-4-ol
CID 97128489
2-(3-methoxypropyl)-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70765643
2-(5-azaspiro[2.5]octan-5-yl)-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133480974
2-[2-(1H-imidazol-5-yl)ethyl]-9-(5-propyl-1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70721194
5-(5-azaspiro[2.5]octan-5-yl)-3-(2-methoxyethyl)-1,2,4-thiadiazole
CID 133480904
2-methyl-5-(3-methyl-3-propylpiperidin-1-yl)-1,3,4-thiadiazole
CID 133332877
2-(4-but-3-ynylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole
CID 133453685
9-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 133494955
2-(3-methyl-4-propan-2-ylpiperazin-1-yl)-5-propyl-1,3,4-thiadiazole
CID 131944448

Frequently Asked Questions

What is the IUPAC name of 2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole?
The IUPAC name of 2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole (CID 133480844) is 2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole is CCCc1nnc(N2CCCC3(CC3)C2)s1.
What is the InChIKey of 2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole?
The InChIKey is HTZNFMRTNZGPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-4-10-13-14-11(16-10)15-8-3-5-12(9-15)6-7-12/h2-9H2,1H3.
What are the key properties of 2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole?
2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole has a molecular weight of 237.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-azaspiro[2.5]octan-5-yl)-5-propyl-1,3,4-thiadiazole is sourced from PubChem (CID 133480844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).