N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide

C17H20N4O2S — CID 154770333

IUPACN-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide
SMILESCOc1nnc(NC(=O)N2CC3(CCCC3)C2c2ccccc2)s1
InChIInChI=1S/C17H20N4O2S/c1-23-16-20-19-14(24-16)18-15(22)21-11-17(9-5-6-10-17)13(21)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,18,19,22)
InChIKeyREWCZPGKBBWFCJ-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.70
Rot. Bonds3

About N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide

N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide (PubChem CID 154770333) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide
PubChem CID154770333
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide
SMILESCOc1nnc(NC(=O)N2CC3(CCCC3)C2c2ccccc2)s1
InChIInChI=1S/C17H20N4O2S/c1-23-16-20-19-14(24-16)18-15(22)21-11-17(9-5-6-10-17)13(21)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,18,19,22)
InChIKeyREWCZPGKBBWFCJ-UHFFFAOYSA-N
XLogP3.70
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide
CID 139010732
(3S)-N-(1,5-dimethyltriazol-4-yl)-3-phenyl-2-azaspiro[3.3]heptane-2-carboxamide
CID 129347242
N-(5-methoxy-3-pyridinyl)-3-phenyl-2-azaspiro[3.4]oct-6-ene-2-carboxamide
CID 154770480
4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid
CID 122021796
(1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone
CID 129347762
(3S,8aR)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 125138453
1-(2,3-dihydro-1H-inden-2-yl)-3-(5-methoxy-1,3,4-thiadiazol-2-yl)urea
CID 167920137
3-cyclopentyl-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 154795632
1-[(5-methoxy-1,3,4-thiadiazol-2-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102928
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-9-oxa-1-thia-4-azaspiro[5.5]undecane-4-carboxamide
CID 167773237
1-[[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122094681
(2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 125138480

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide (CID 154770333) is N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide is COc1nnc(NC(=O)N2CC3(CCCC3)C2c2ccccc2)s1.
What is the InChIKey of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is REWCZPGKBBWFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-23-16-20-19-14(24-16)18-15(22)21-11-17(9-5-6-10-17)13(21)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,18,19,22).
What are the key properties of N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide?
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 154770333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).