3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide

C15H13N3OS2 — CID 659514

IUPAC3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1C
InChIInChI=1S/C15H13N3OS2/c1-9-5-6-11(8-10(9)2)13(19)16-15-18-17-14(21-15)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,18,19)
InChIKeyROWBKNSALOBOBL-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.14
Rot. Bonds3

About 3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide

3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 659514) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID659514
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1C
InChIInChI=1S/C15H13N3OS2/c1-9-5-6-11(8-10(9)2)13(19)16-15-18-17-14(21-15)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,18,19)
InChIKeyROWBKNSALOBOBL-UHFFFAOYSA-N
XLogP4.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3152692
N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 4116600
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 8438614
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 665475
N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 644784
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 800213
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-2-methylbenzamide
CID 1004973
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 1123721
N-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzamide
CID 1123723
N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyl-3-thiophenecarboxamide
CID 1245519
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-methyl-3-thiophenecarboxamide
CID 1245673
N-(5-(benzylthio)-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 2201446

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 659514) is 3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide is Cc1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is ROWBKNSALOBOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-9-5-6-11(8-10(9)2)13(19)16-15-18-17-14(21-15)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,18,19).
What are the key properties of 3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 315.42 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 659514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).