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

C15H12N4OS — CID 1080950

IUPAC3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nnc(-c3cccnc3)s2)c1
InChIInChI=1S/C15H12N4OS/c1-10-4-2-5-11(8-10)13(20)17-15-19-18-14(21-15)12-6-3-7-16-9-12/h2-9H,1H3,(H,17,19,20)
InChIKeyIBHZABFASUCDDG-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.16
Rot. Bonds3

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

3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 1080950) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID1080950
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nnc(-c3cccnc3)s2)c1
InChIInChI=1S/C15H12N4OS/c1-10-4-2-5-11(8-10)13(20)17-15-19-18-14(21-15)12-6-3-7-16-9-12/h2-9H,1H3,(H,17,19,20)
InChIKeyIBHZABFASUCDDG-UHFFFAOYSA-N
XLogP3.16
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
N-[5-(3-aminophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 82176812
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 16813777
3-methyl-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45020577
3,5-dimethyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 27991309
4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 977301
4-tert-butyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1002981
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 845637
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 4191915
N-[5-[4-[(4-chlorophenyl)sulfonylmethyl]phenyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 155943042

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 1080950) is 3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is Cc1cccc(C(=O)Nc2nnc(-c3cccnc3)s2)c1.
What is the InChIKey of 3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is IBHZABFASUCDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-10-4-2-5-11(8-10)13(20)17-15-19-18-14(21-15)12-6-3-7-16-9-12/h2-9H,1H3,(H,17,19,20).
What are the key properties of 3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide?
3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 296.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 1080950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).