N-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide

C13H14N4O2S — CID 1447078

IUPACN-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCc1nnc(N(C)C(=O)CNC(=O)c2ccccc2)s1
InChIInChI=1S/C13H14N4O2S/c1-9-15-16-13(20-9)17(2)11(18)8-14-12(19)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,19)
InChIKeyIBRXNBIRWRQFKA-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.24
Rot. Bonds4

About N-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide

N-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 1447078) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID1447078
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCc1nnc(N(C)C(=O)CNC(=O)c2ccccc2)s1
InChIInChI=1S/C13H14N4O2S/c1-9-15-16-13(20-9)17(2)11(18)8-14-12(19)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,19)
InChIKeyIBRXNBIRWRQFKA-UHFFFAOYSA-N
XLogP1.24
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide (CID 1447078) is N-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide is Cc1nnc(N(C)C(=O)CNC(=O)c2ccccc2)s1.
What is the InChIKey of N-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is IBRXNBIRWRQFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-9-15-16-13(20-9)17(2)11(18)8-14-12(19)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,19).
What are the key properties of N-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide?
N-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 290.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 1447078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).