3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile

C19H25N5OS — CID 164620972

IUPAC3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile
SMILESCN(c1nnc(-c2ccc(C#N)cc2O)s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H25N5OS/c1-18(2)9-13(10-19(3,4)23-18)24(5)17-22-21-16(26-17)14-7-6-12(11-20)8-15(14)25/h6-8,13,23,25H,9-10H2,1-5H3
InChIKeyYGCVJMIXBKAEQB-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.53
Rot. Bonds3

About 3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile

3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile (PubChem CID 164620972) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile
PubChem CID164620972
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile
SMILESCN(c1nnc(-c2ccc(C#N)cc2O)s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C19H25N5OS/c1-18(2)9-13(10-19(3,4)23-18)24(5)17-22-21-16(26-17)14-7-6-12(11-20)8-15(14)25/h6-8,13,23,25H,9-10H2,1-5H3
InChIKeyYGCVJMIXBKAEQB-UHFFFAOYSA-N
XLogP3.53
TPSA85.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-Methoxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile
CID 90282488
4-[3-Hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one
CID 136611496
2-[5-(Cyclohexylamino)-1,3,4-thiadiazol-2-yl]phenol
CID 139070799
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3,4-difluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol
CID 136499182
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-3-fluorophenol
CID 144674677
5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenol
CID 155274950
4-[4-[5-[[(2S,3R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one
CID 167368887
4-[4-[5-[[(2R,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-3-hydroxyphenyl]-1-methylpyridin-2-one
CID 167369166
2-[5-[[(2R,3S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-[C-[(E)-2-methoxy-2-(methylideneamino)ethenyl]-N-methylcarbonimidoyl]phenol
CID 169665346
3-Fluoro-4-[5-[(1-iodo-2,2,6,6-tetramethylpiperidin-4-yl)-methylamino]-1,3,4-thiadiazol-2-yl]-5-methoxybenzonitrile
CID 169958323
5-(1-Amino-3-iminoprop-1-en-2-yl)-2-[5-(2,7-diazaspiro[3.5]nonan-2-yl)-1,3,4-thiadiazol-2-yl]-3-fluorophenol
CID 174101053
3-[5-(4-Piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]phenol
CID 58430756

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile?
The IUPAC name of 3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile (CID 164620972) is 3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile.
What is the SMILES notation for 3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile?
The canonical SMILES for 3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile is CN(c1nnc(-c2ccc(C#N)cc2O)s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile?
The InChIKey is YGCVJMIXBKAEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-18(2)9-13(10-19(3,4)23-18)24(5)17-22-21-16(26-17)14-7-6-12(11-20)8-15(14)25/h6-8,13,23,25H,9-10H2,1-5H3.
What are the key properties of 3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile?
3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile has a molecular weight of 371.51 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]benzonitrile is sourced from PubChem (CID 164620972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).