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

C15H18N4O2S — CID 944946

IUPACN'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)Nc2ccc(C)cc2)s1
InChIInChI=1S/C15H18N4O2S/c1-3-14-18-19-15(22-14)17-13(21)9-8-12(20)16-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyAULDEPHNWUNLCT-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.77
Rot. Bonds6

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

N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide (PubChem CID 944946) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
PubChem CID944946
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)Nc2ccc(C)cc2)s1
InChIInChI=1S/C15H18N4O2S/c1-3-14-18-19-15(22-14)17-13(21)9-8-12(20)16-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,20)(H,17,19,21)
InChIKeyAULDEPHNWUNLCT-UHFFFAOYSA-N
XLogP2.77
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.77
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)butanediamide?
The IUPAC name of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide (CID 944946) is N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide.
What is the SMILES notation for N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide?
The canonical SMILES for N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide is CCc1nnc(NC(=O)CCC(=O)Nc2ccc(C)cc2)s1.
What is the InChIKey of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide?
The InChIKey is AULDEPHNWUNLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-3-14-18-19-15(22-14)17-13(21)9-8-12(20)16-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,16,20)(H,17,19,21).
What are the key properties of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide?
N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide has a molecular weight of 318.40 g/mol, XLogP of 2.77, 6 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)butanediamide is sourced from PubChem (CID 944946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).