5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide

C20H20FN3OS — CID 118889634

IUPAC5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide
SMILESCc1ccc(F)c(C2=NN(C(=O)N(C)C)C3(CCc4ccccc43)S2)c1
InChIInChI=1S/C20H20FN3OS/c1-13-8-9-17(21)15(12-13)18-22-24(19(25)23(2)3)20(26-18)11-10-14-6-4-5-7-16(14)20/h4-9,12H,10-11H2,1-3H3
InChIKeyNNPJUHLVNCUHSO-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.33
Rot. Bonds1

About 5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide

5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide (PubChem CID 118889634) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is 5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide.

Molecular Properties

Compound Name5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide
PubChem CID118889634
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide
SMILESCc1ccc(F)c(C2=NN(C(=O)N(C)C)C3(CCc4ccccc43)S2)c1
InChIInChI=1S/C20H20FN3OS/c1-13-8-9-17(21)15(12-13)18-22-24(19(25)23(2)3)20(26-18)11-10-14-6-4-5-7-16(14)20/h4-9,12H,10-11H2,1-3H3
InChIKeyNNPJUHLVNCUHSO-UHFFFAOYSA-N
XLogP4.33
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-5'-(2,5-difluorophenyl)spiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-yl]ethanone
CID 58274814
1-[5'-(2,5-difluorophenyl)spiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-yl]-2-hydroxypropan-1-one
CID 76751949
[5'-(2,5-difluorophenyl)spiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-yl]-(1-methylpiperidin-4-yl)methanone
CID 42634353
1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2,2,2-trifluoroethanone
CID 58274922
2-(3-aminopropyl)-5-(2-fluoro-5-methylphenyl)-N,N-dimethyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide
CID 70935138
cyclopropyl-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]methanone
CID 58274749
[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-[(2S)-piperidin-2-yl]methanone
CID 42633995
1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydrochromene]-3-yl]-2-methylpropan-1-one
CID 58274962
1-[5'-(2,5-difluorophenyl)spiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-yl]-3-piperidin-2-ylpropan-1-one
CID 42635603
1-[5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene]-3-yl]-2-pyridin-3-ylethanone
CID 58274622
5-(2-fluoro-5-methylphenyl)-3-methylspiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-naphthalene];N-methylpent-4-en-1-amine
CID 143795129
1-[(2R)-5-(2,5-difluorophenyl)spiro[1,3,4-thiadiazole-2,4'-2,3-dihydro-1H-quinoline]-3-yl]ethanone
CID 58274963

Frequently Asked Questions

What is the IUPAC name of 5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide?
The IUPAC name of 5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide (CID 118889634) is 5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide.
What is the SMILES notation for 5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide?
The canonical SMILES for 5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide is Cc1ccc(F)c(C2=NN(C(=O)N(C)C)C3(CCc4ccccc43)S2)c1.
What is the InChIKey of 5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide?
The InChIKey is NNPJUHLVNCUHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-13-8-9-17(21)15(12-13)18-22-24(19(25)23(2)3)20(26-18)11-10-14-6-4-5-7-16(14)20/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide?
5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(2-fluoro-5-methylphenyl)-N,N-dimethylspiro[1,2-dihydroindene-3,2'-1,3,4-thiadiazole]-3'-carboxamide is sourced from PubChem (CID 118889634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).