5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

C17H22N4O2S — CID 126770625

IUPAC5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCN(Cc1nnc(C(=O)Nc2ccccc2)s1)CC1CCCO1
InChIInChI=1S/C17H22N4O2S/c1-2-21(11-14-9-6-10-23-14)12-15-19-20-17(24-15)16(22)18-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,22)
InChIKeyKLFXKWXKQAJJMN-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.79
Rot. Bonds7

About 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 126770625) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
PubChem CID126770625
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
SMILESCCN(Cc1nnc(C(=O)Nc2ccccc2)s1)CC1CCCO1
InChIInChI=1S/C17H22N4O2S/c1-2-21(11-14-9-6-10-23-14)12-15-19-20-17(24-15)16(22)18-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,22)
InChIKeyKLFXKWXKQAJJMN-UHFFFAOYSA-N
XLogP2.79
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-oxo-4-(oxolan-2-ylmethylamino)butyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46320305
N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 80614276
5-[[benzyl(ethyl)amino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 18124244
5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46329782
5-(2-methylpropyl)-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 92870153
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
N-ethyl-N-(oxolan-2-ylmethyl)-2-(phenylcarbamoylamino)propanamide
CID 51091586
5-[1-(oxolan-2-ylmethylcarbamoyl)piperidin-3-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376033
5-[[ethyl(2-hydroxyethyl)amino]methyl]-N-(4-ethylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 37099139
methyl 2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 82969495
1-ethyl-1-(oxolan-2-ylmethyl)-3-phenylthiourea
CID 3350664
5-[(dibenzylamino)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 52560599

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide (CID 126770625) is 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is CCN(Cc1nnc(C(=O)Nc2ccccc2)s1)CC1CCCO1.
What is the InChIKey of 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is KLFXKWXKQAJJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-2-21(11-14-9-6-10-23-14)12-15-19-20-17(24-15)16(22)18-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,18,22).
What are the key properties of 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide?
5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(oxolan-2-ylmethyl)amino]methyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 126770625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).