2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C17H14N4O2S — CID 2806492

IUPAC2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2NC(=O)c2ccccc2)s1
InChIInChI=1S/C17H14N4O2S/c1-11-20-21-17(24-11)19-16(23)13-9-5-6-10-14(13)18-15(22)12-7-3-2-4-8-12/h2-10H,1H3,(H,18,22)(H,19,21,23)
InChIKeyMPIHMAKVBBUTFD-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.35
Rot. Bonds4

About 2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2806492) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2806492
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2NC(=O)c2ccccc2)s1
InChIInChI=1S/C17H14N4O2S/c1-11-20-21-17(24-11)19-16(23)13-9-5-6-10-14(13)18-15(22)12-7-3-2-4-8-12/h2-10H,1H3,(H,18,22)(H,19,21,23)
InChIKeyMPIHMAKVBBUTFD-UHFFFAOYSA-N
XLogP3.35
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 2806492) is 2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccccc2NC(=O)c2ccccc2)s1.
What is the InChIKey of 2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is MPIHMAKVBBUTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-11-20-21-17(24-11)19-16(23)13-9-5-6-10-14(13)18-15(22)12-7-3-2-4-8-12/h2-10H,1H3,(H,18,22)(H,19,21,23).
What are the key properties of 2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 338.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2806492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).