9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide

C18H23N5OS — CID 128702904

IUPAC9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCN1CCCC2(CCN(C(=O)Nc3ccc(-c4nncs4)cc3)C2)C1
InChIInChI=1S/C18H23N5OS/c1-22-9-2-7-18(11-22)8-10-23(12-18)17(24)20-15-5-3-14(4-6-15)16-21-19-13-25-16/h3-6,13H,2,7-12H2,1H3,(H,20,24)
InChIKeyAUHKIIRUCDZFME-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.15
Rot. Bonds2

About 9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide

9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 128702904) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID128702904
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCN1CCCC2(CCN(C(=O)Nc3ccc(-c4nncs4)cc3)C2)C1
InChIInChI=1S/C18H23N5OS/c1-22-9-2-7-18(11-22)8-10-23(12-18)17(24)20-15-5-3-14(4-6-15)16-21-19-13-25-16/h3-6,13H,2,7-12H2,1H3,(H,20,24)
InChIKeyAUHKIIRUCDZFME-UHFFFAOYSA-N
XLogP3.15
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092432
N-[6-(dimethylamino)-2-pyridinyl]-9-methyl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 154737014
(5R)-N-(4-methoxyphenyl)-9-(thiadiazole-4-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234002
(5S)-7-methylsulfonyl-N-phenyl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 3234504
2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 72861534
(5R)-2-methyl-N-(2,4,5-trifluorophenyl)-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97436544
(5S)-N-cyclohexyl-9-(1,3,4-thiadiazol-2-yl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97484299
N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 128508405
N-(1-methylpyrazol-4-yl)-2-azaspiro[5.6]dodecane-2-carboxamide
CID 71992760
3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 103727848
(3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
CID 99797041
N-phenyl-2-[(4-phenylphenyl)methyl]-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97392793

Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 128702904) is 9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide is CN1CCCC2(CCN(C(=O)Nc3ccc(-c4nncs4)cc3)C2)C1.
What is the InChIKey of 9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is AUHKIIRUCDZFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-22-9-2-7-18(11-22)8-10-23(12-18)17(24)20-15-5-3-14(4-6-15)16-21-19-13-25-16/h3-6,13H,2,7-12H2,1H3,(H,20,24).
What are the key properties of 9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide?
9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[4-(1,3,4-thiadiazol-2-yl)phenyl]-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 128702904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).