5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

C17H22N4O2S — CID 110019399

IUPAC5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCC(O)C1CCCCN1Cc1nnc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C17H22N4O2S/c1-12(22)14-9-5-6-10-21(14)11-15-19-20-17(24-15)16(23)18-13-7-3-2-4-8-13/h2-4,7-8,12,14,22H,5-6,9-11H2,1H3,(H,18,23)
InChIKeyXGEFGJJYIBHRDP-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.53
Rot. Bonds5

About 5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 110019399) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID110019399
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCC(O)C1CCCCN1Cc1nnc(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C17H22N4O2S/c1-12(22)14-9-5-6-10-21(14)11-15-19-20-17(24-15)16(23)18-13-7-3-2-4-8-13/h2-4,7-8,12,14,22H,5-6,9-11H2,1H3,(H,18,23)
InChIKeyXGEFGJJYIBHRDP-UHFFFAOYSA-N
XLogP2.53
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(hydroxymethyl)-3-methylpiperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 75500421
N-(4-chlorophenyl)-5-[(2-phenylpyrrolidin-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 18137854
N-(4-methoxyphenyl)-5-[(5-methyl-2-propan-2-ylazepan-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 86966606
5-[4-(azepan-1-yl)-4-oxobutyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46320288
5-[[(1R,6S,7S)-7-hydroxy-8,8-dimethyl-2-azabicyclo[4.2.0]octan-2-yl]methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 167986052
5-[(4-benzylpiperidin-1-yl)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 112810299
N-(4-methoxyphenyl)-5-[[3-(phenoxymethyl)piperidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 86972198
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 111106900
N-[3-[2-(2-methylpiperidin-1-yl)ethylcarbamoyl]phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
CID 46332264
N-[3-[2-[(2R)-2-methylpiperidin-1-yl]ethylcarbamoyl]phenyl]-5-(phenoxymethyl)-1,3,4-thiadiazole-2-carboxamide
CID 92871851
N-(4-fluorophenyl)-5-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 43052579
N-(4-methoxyphenyl)-5-[[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 97074896

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 110019399) is 5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is CC(O)C1CCCCN1Cc1nnc(C(=O)Nc2ccccc2)s1.
What is the InChIKey of 5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is XGEFGJJYIBHRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12(22)14-9-5-6-10-21(14)11-15-19-20-17(24-15)16(23)18-13-7-3-2-4-8-13/h2-4,7-8,12,14,22H,5-6,9-11H2,1H3,(H,18,23).
What are the key properties of 5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 110019399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).