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

C17H20N4O3S — CID 46329782

IUPAC5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1nnc(C(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)s1
InChIInChI=1S/C17H20N4O3S/c1-2-14-20-21-17(25-14)16(23)19-12-6-3-5-11(9-12)15(22)18-10-13-7-4-8-24-13/h3,5-6,9,13H,2,4,7-8,10H2,1H3,(H,18,22)(H,19,23)
InChIKeyQXCBPXLTYJMPIM-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.26
Rot. Bonds6

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

5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 46329782) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID46329782
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCCc1nnc(C(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)s1
InChIInChI=1S/C17H20N4O3S/c1-2-14-20-21-17(25-14)16(23)19-12-6-3-5-11(9-12)15(22)18-10-13-7-4-8-24-13/h3,5-6,9,13H,2,4,7-8,10H2,1H3,(H,18,22)(H,19,23)
InChIKeyQXCBPXLTYJMPIM-UHFFFAOYSA-N
XLogP2.26
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-chlorophenoxy)methyl]-N-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 92871834
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
5-(2-methylpropyl)-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 92870153
N-(3-chlorophenyl)-5-[4-oxo-4-(oxolan-2-ylmethylamino)butyl]-1,3,4-thiadiazole-2-carboxamide
CID 46320235
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
5-ethyl-N-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46329784
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
5-[4-oxo-4-(oxolan-2-ylmethylamino)butyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46320305
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
3-(ethylsulfonylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 36701842

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide (CID 46329782) is 5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide is CCc1nnc(C(=O)Nc2cccc(C(=O)NCC3CCCO3)c2)s1.
What is the InChIKey of 5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is QXCBPXLTYJMPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-2-14-20-21-17(25-14)16(23)19-12-6-3-5-11(9-12)15(22)18-10-13-7-4-8-24-13/h3,5-6,9,13H,2,4,7-8,10H2,1H3,(H,18,22)(H,19,23).
What are the key properties of 5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide?
5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 46329782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).