8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

C12H20N4OS — CID 80607971

IUPAC8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCNc1nnc(CN2C3CCC2CC(O)C3)s1
InChIInChI=1S/C12H20N4OS/c1-2-13-12-15-14-11(18-12)7-16-8-3-4-9(16)6-10(17)5-8/h8-10,17H,2-7H2,1H3,(H,13,15)
InChIKeyQODZUKZIJWTPHG-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.46
Rot. Bonds4

About 8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80607971) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80607971
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCNc1nnc(CN2C3CCC2CC(O)C3)s1
InChIInChI=1S/C12H20N4OS/c1-2-13-12-15-14-11(18-12)7-16-8-3-4-9(16)6-10(17)5-8/h8-10,17H,2-7H2,1H3,(H,13,15)
InChIKeyQODZUKZIJWTPHG-UHFFFAOYSA-N
XLogP1.46
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

[1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperidin-4-yl]methanol
CID 80606257
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80609055
5-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80607629
4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one
CID 80609094
N-ethyl-5-[(2-ethylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 104691834
8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770509
1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-N-methylpiperidine-2-carboxamide
CID 80606498
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81102871
4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-1-methyl-1,4-diazepan-2-one
CID 102892626
5-(cyclopentylsulfanylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80614368
ethyl 4-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-1-carboxylate
CID 107877685
5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 80606120

Frequently Asked Questions

What is the IUPAC name of 8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 80607971) is 8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is CCNc1nnc(CN2C3CCC2CC(O)C3)s1.
What is the InChIKey of 8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is QODZUKZIJWTPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-2-13-12-15-14-11(18-12)7-16-8-3-4-9(16)6-10(17)5-8/h8-10,17H,2-7H2,1H3,(H,13,15).
What are the key properties of 8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 268.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80607971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).