N-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide

C15H17ClN4O2S — CID 1400099

IUPACN-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)NCc2ccccc2Cl)s1
InChIInChI=1S/C15H17ClN4O2S/c1-2-14-19-20-15(23-14)18-13(22)8-7-12(21)17-9-10-5-3-4-6-11(10)16/h3-6H,2,7-9H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyLYGUADSBDQELDN-UHFFFAOYSA-N
MW352.85 g/mol
LogP2.79
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide

N-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 1400099) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID1400099
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)NCc2ccccc2Cl)s1
InChIInChI=1S/C15H17ClN4O2S/c1-2-14-19-20-15(23-14)18-13(22)8-7-12(21)17-9-10-5-3-4-6-11(10)16/h3-6H,2,7-9H2,1H3,(H,17,21)(H,18,20,22)
InChIKeyLYGUADSBDQELDN-UHFFFAOYSA-N
XLogP2.79
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl}benzamide
CID 2103737
2-chloro-N-[3-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 2443348
1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4883514
1-benzyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 24818097
N-[5-[2-(benzylamino)-2-oxoethyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 946556
N-(2-chlorobenzyl)-N'-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 1398193
N-Benzyl-N'-(5-cyclohexyl-[1,3,4]thiadiazol-2-yl)-succinamide
CID 1399783
4-[4-(4-chlorobenzyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
CID 4036170
4-(4-benzylpiperazin-1-yl)-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 663598
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
CID 664649
N-[(2Z)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-[4-(4-fluorobenzyl)piperazin-1-yl]-4-oxobutanamide
CID 1389055
4-[4-(4-chlorobenzyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 4236012

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 1400099) is N-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide is CCc1nnc(NC(=O)CCC(=O)NCc2ccccc2Cl)s1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is LYGUADSBDQELDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-2-14-19-20-15(23-14)18-13(22)8-7-12(21)17-9-10-5-3-4-6-11(10)16/h3-6H,2,7-9H2,1H3,(H,17,21)(H,18,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide?
N-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 352.85 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 1400099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).