N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide

C17H15F2N5OS — CID 24819220

IUPACN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C17H15F2N5OS/c1-9-16(26-23-22-9)17(25)21-13-3-2-4-14-11(13)8-20-24(14)15-6-5-10(18)7-12(15)19/h5-8,13H,2-4H2,1H3,(H,21,25)
InChIKeyPVVCLJJOJARCHP-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.12
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide

N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide (PubChem CID 24819220) has the molecular formula C17H15F2N5OS and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide
PubChem CID24819220
Molecular FormulaC17H15F2N5OS
Molecular Weight375.40 g/mol
Exact Mass375.10
IUPAC NameN-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F
InChIInChI=1S/C17H15F2N5OS/c1-9-16(26-23-22-9)17(25)21-13-3-2-4-14-11(13)8-20-24(14)15-6-5-10(18)7-12(15)19/h5-8,13H,2-4H2,1H3,(H,21,25)
InChIKeyPVVCLJJOJARCHP-UHFFFAOYSA-N
XLogP3.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide (CID 24819220) is N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is PVVCLJJOJARCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N5OS/c1-9-16(26-23-22-9)17(25)21-13-3-2-4-14-11(13)8-20-24(14)15-6-5-10(18)7-12(15)19/h5-8,13H,2-4H2,1H3,(H,21,25).
What are the key properties of N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide?
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 24819220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).