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

C17H17N5OS — CID 2669841

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)n1
InChIInChI=1S/C17H17N5OS/c1-10-9-11(2)22(21-10)14-7-5-12(6-8-14)15(23)18-17-20-19-16(24-17)13-3-4-13/h5-9,13H,3-4H2,1-2H3,(H,18,20,23)
InChIKeyXZCWIXKXQCGHJZ-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.47
Rot. Bonds4

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

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 2669841) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID2669841
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)n1
InChIInChI=1S/C17H17N5OS/c1-10-9-11(2)22(21-10)14-7-5-12(6-8-14)15(23)18-17-20-19-16(24-17)13-3-4-13/h5-9,13H,3-4H2,1-2H3,(H,18,20,23)
InChIKeyXZCWIXKXQCGHJZ-UHFFFAOYSA-N
XLogP3.47
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 2669841) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)n1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is XZCWIXKXQCGHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-10-9-11(2)22(21-10)14-7-5-12(6-8-14)15(23)18-17-20-19-16(24-17)13-3-4-13/h5-9,13H,3-4H2,1-2H3,(H,18,20,23).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 339.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 2669841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).