N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanoylamino)benzamide

C15H18N4O2S — CID 978132

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanoylamino)benzamide
SMILESCCc1nnc(NC(=O)c2cccc(NC(=O)C(C)C)c2)s1
InChIInChI=1S/C15H18N4O2S/c1-4-12-18-19-15(22-12)17-14(21)10-6-5-7-11(8-10)16-13(20)9(2)3/h5-9H,4H2,1-3H3,(H,16,20)(H,17,19,21)
InChIKeyWQJKEHDVZWHTDT-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.95
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanoylamino)benzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanoylamino)benzamide (PubChem CID 978132) 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)-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanoylamino)benzamide
PubChem CID978132
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanoylamino)benzamide
SMILESCCc1nnc(NC(=O)c2cccc(NC(=O)C(C)C)c2)s1
InChIInChI=1S/C15H18N4O2S/c1-4-12-18-19-15(22-12)17-14(21)10-6-5-7-11(8-10)16-13(20)9(2)3/h5-9H,4H2,1-3H3,(H,16,20)(H,17,19,21)
InChIKeyWQJKEHDVZWHTDT-UHFFFAOYSA-N
XLogP2.95
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.95
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)-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanoylamino)benzamide (CID 978132) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanoylamino)benzamide is CCc1nnc(NC(=O)c2cccc(NC(=O)C(C)C)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanoylamino)benzamide?
The InChIKey is WQJKEHDVZWHTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-4-12-18-19-15(22-12)17-14(21)10-6-5-7-11(8-10)16-13(20)9(2)3/h5-9H,4H2,1-3H3,(H,16,20)(H,17,19,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanoylamino)benzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methylpropanoylamino)benzamide has a molecular weight of 318.40 g/mol, XLogP of 2.95, 5 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)-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 978132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).