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

C15H15N5OS — CID 2117827

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3nnc(C)s3)cc2)n1
InChIInChI=1S/C15H15N5OS/c1-9-8-10(2)20(19-9)13-6-4-12(5-7-13)14(21)16-15-18-17-11(3)22-15/h4-8H,1-3H3,(H,16,18,21)
InChIKeyVIQBWXIQEBPZGU-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.90
Rot. Bonds3

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

4-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2117827) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2117827
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3nnc(C)s3)cc2)n1
InChIInChI=1S/C15H15N5OS/c1-9-8-10(2)20(19-9)13-6-4-12(5-7-13)14(21)16-15-18-17-11(3)22-15/h4-8H,1-3H3,(H,16,18,21)
InChIKeyVIQBWXIQEBPZGU-UHFFFAOYSA-N
XLogP2.90
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 2117827) is 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(C)s3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is VIQBWXIQEBPZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-9-8-10(2)20(19-9)13-6-4-12(5-7-13)14(21)16-15-18-17-11(3)22-15/h4-8H,1-3H3,(H,16,18,21).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 313.39 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2117827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).