N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide

C13H10F3N5OS — CID 71808022

IUPACN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)c1ccc2nsnc2c1
InChIInChI=1S/C13H10F3N5OS/c14-13(15,16)11-3-5-21(18-11)6-4-17-12(22)8-1-2-9-10(7-8)20-23-19-9/h1-3,5,7H,4,6H2,(H,17,22)
InChIKeyHECODNWNSLTLKP-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.34
Rot. Bonds4

About N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide

N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 71808022) has the molecular formula C13H10F3N5OS and a molecular weight of 341.32 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID71808022
Molecular FormulaC13H10F3N5OS
Molecular Weight341.32 g/mol
Exact Mass341.06
IUPAC NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)c1ccc2nsnc2c1
InChIInChI=1S/C13H10F3N5OS/c14-13(15,16)11-3-5-21(18-11)6-4-17-12(22)8-1-2-9-10(7-8)20-23-19-9/h1-3,5,7H,4,6H2,(H,17,22)
InChIKeyHECODNWNSLTLKP-UHFFFAOYSA-N
XLogP2.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 46885187
CID 46885187
CID 1088543
CID 1088543
CID 1088541
CID 1088541
CID 9117474
CID 9117474
CID 70684699
CID 70684699
CID 976706
CID 976706
CID 86299829
CID 86299829
CID 86299830
CID 86299830
CID 91938003
CID 91938003
CID 117973831
CID 117973831
CID 118392429
CID 118392429
CID 139431407
CID 139431407

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide (CID 71808022) is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide is O=C(NCCn1ccc(C(F)(F)F)n1)c1ccc2nsnc2c1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is HECODNWNSLTLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5OS/c14-13(15,16)11-3-5-21(18-11)6-4-17-12(22)8-1-2-9-10(7-8)20-23-19-9/h1-3,5,7H,4,6H2,(H,17,22).
What are the key properties of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide?
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 341.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 71808022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).