N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide

C17H15FN4OS — CID 45180288

IUPACN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccccc1F)c1cscn1
InChIInChI=1S/C17H15FN4OS/c18-12-4-1-2-6-16(12)22-15-7-3-5-13(11(15)8-20-22)21-17(23)14-9-24-10-19-14/h1-2,4,6,8-10,13H,3,5,7H2,(H,21,23)
InChIKeyXCJUDQUJQMNALY-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.28
Rot. Bonds3

About N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide

N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 45180288) has the molecular formula C17H15FN4OS and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID45180288
Molecular FormulaC17H15FN4OS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCCc2c1cnn2-c1ccccc1F)c1cscn1
InChIInChI=1S/C17H15FN4OS/c18-12-4-1-2-6-16(12)22-15-7-3-5-13(11(15)8-20-22)21-17(23)14-9-24-10-19-14/h1-2,4,6,8-10,13H,3,5,7H2,(H,21,23)
InChIKeyXCJUDQUJQMNALY-UHFFFAOYSA-N
XLogP3.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide (CID 45180288) is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide is O=C(NC1CCCc2c1cnn2-c1ccccc1F)c1cscn1.
What is the InChIKey of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is XCJUDQUJQMNALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4OS/c18-12-4-1-2-6-16(12)22-15-7-3-5-13(11(15)8-20-22)21-17(23)14-9-24-10-19-14/h1-2,4,6,8-10,13H,3,5,7H2,(H,21,23).
What are the key properties of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide?
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45180288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).