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

C17H16ClN5OS — CID 2371835

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)c(C)c1Cl
InChIInChI=1S/C17H16ClN5OS/c1-9-14(18)10(2)23(22-9)13-7-5-11(6-8-13)15(24)19-17-21-20-16(25-17)12-3-4-12/h5-8,12H,3-4H2,1-2H3,(H,19,21,24)
InChIKeyCNSXEMIKHXNKGO-UHFFFAOYSA-N
MW373.87 g/mol
LogP4.12
Rot. Bonds4

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

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 2371835) has the molecular formula C17H16ClN5OS and a molecular weight of 373.87 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID2371835
Molecular FormulaC17H16ClN5OS
Molecular Weight373.87 g/mol
Exact Mass373.08
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nn(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)c(C)c1Cl
InChIInChI=1S/C17H16ClN5OS/c1-9-14(18)10(2)23(22-9)13-7-5-11(6-8-13)15(24)19-17-21-20-16(25-17)12-3-4-12/h5-8,12H,3-4H2,1-2H3,(H,19,21,24)
InChIKeyCNSXEMIKHXNKGO-UHFFFAOYSA-N
XLogP4.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide (CID 2371835) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nn(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)c(C)c1Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is CNSXEMIKHXNKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5OS/c1-9-14(18)10(2)23(22-9)13-7-5-11(6-8-13)15(24)19-17-21-20-16(25-17)12-3-4-12/h5-8,12H,3-4H2,1-2H3,(H,19,21,24).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 373.87 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 2371835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).