1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C19H20FN5OS — CID 30342326

IUPAC1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)s1
InChIInChI=1S/C19H20FN5OS/c1-11(2)18-22-23-19(27-18)21-17(26)16-14-5-3-4-6-15(14)25(24-16)13-9-7-12(20)8-10-13/h7-11H,3-6H2,1-2H3,(H,21,23,26)
InChIKeyPXJICPJOEPDMKU-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.12
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 30342326) has the molecular formula C19H20FN5OS and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID30342326
Molecular FormulaC19H20FN5OS
Molecular Weight385.47 g/mol
Exact Mass385.14
IUPAC Name1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)s1
InChIInChI=1S/C19H20FN5OS/c1-11(2)18-22-23-19(27-18)21-17(26)16-14-5-3-4-6-15(14)25(24-16)13-9-7-12(20)8-10-13/h7-11H,3-6H2,1-2H3,(H,21,23,26)
InChIKeyPXJICPJOEPDMKU-UHFFFAOYSA-N
XLogP4.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 30342326) is 1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CC(C)c1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)s1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is PXJICPJOEPDMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5OS/c1-11(2)18-22-23-19(27-18)21-17(26)16-14-5-3-4-6-15(14)25(24-16)13-9-7-12(20)8-10-13/h7-11H,3-6H2,1-2H3,(H,21,23,26).
What are the key properties of 1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 385.47 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 1-(4-fluorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 30342326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).