9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane

C13H21N3OS — CID 71847475

IUPAC9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESCCCc1nnc(N2CCOC3(CCCC3)C2)s1
InChIInChI=1S/C13H21N3OS/c1-2-5-11-14-15-12(18-11)16-8-9-17-13(10-16)6-3-4-7-13/h2-10H2,1H3
InChIKeyUDACFNHESKOSDU-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.64
Rot. Bonds3

About 9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane

9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 71847475) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID71847475
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESCCCc1nnc(N2CCOC3(CCCC3)C2)s1
InChIInChI=1S/C13H21N3OS/c1-2-5-11-14-15-12(18-11)16-8-9-17-13(10-16)6-3-4-7-13/h2-10H2,1H3
InChIKeyUDACFNHESKOSDU-UHFFFAOYSA-N
XLogP2.64
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7,7-Dimethyl-9-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-6-oxa-9-azaspiro[4.5]decane
CID 133513345
(2S,3aS,7aS)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 97369455
2-Cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 122138818
(2S)-2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 124296918
(2R)-2-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 124296919
(2R,3aR,7aR)-2-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 124809603
4-(5-Methyl-1,3,4-thiadiazol-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133378253
4-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133383739
4-(5-Propan-2-yl-1,3,4-thiadiazol-2-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133383770
2-Ethyl-2-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine
CID 133506103
4-(5-Tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethyl-2-methylmorpholine
CID 133506113
2-Ethyl-2-methyl-4-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 133506316

Frequently Asked Questions

What is the IUPAC name of 9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane (CID 71847475) is 9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane is CCCc1nnc(N2CCOC3(CCCC3)C2)s1.
What is the InChIKey of 9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is UDACFNHESKOSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-5-11-14-15-12(18-11)16-8-9-17-13(10-16)6-3-4-7-13/h2-10H2,1H3.
What are the key properties of 9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane?
9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 267.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-propyl-1,3,4-thiadiazol-2-yl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 71847475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).