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

C16H20N4O2S — CID 943845

IUPACN'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)NCc2ccc(C)cc2)s1
InChIInChI=1S/C16H20N4O2S/c1-3-15-19-20-16(23-15)18-14(22)9-8-13(21)17-10-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyPODOWWSUOZMGPV-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.44
Rot. Bonds7

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

N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide (PubChem CID 943845) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide.

Molecular Properties

Compound NameN'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide
PubChem CID943845
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)NCc2ccc(C)cc2)s1
InChIInChI=1S/C16H20N4O2S/c1-3-15-19-20-16(23-15)18-14(22)9-8-13(21)17-10-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyPODOWWSUOZMGPV-UHFFFAOYSA-N
XLogP2.44
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide?
The IUPAC name of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide (CID 943845) is N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide.
What is the SMILES notation for N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide?
The canonical SMILES for N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide is CCc1nnc(NC(=O)CCC(=O)NCc2ccc(C)cc2)s1.
What is the InChIKey of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide?
The InChIKey is PODOWWSUOZMGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-3-15-19-20-16(23-15)18-14(22)9-8-13(21)17-10-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,17,21)(H,18,20,22).
What are the key properties of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide?
N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide has a molecular weight of 332.43 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-[(4-methylphenyl)methyl]butanediamide is sourced from PubChem (CID 943845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).