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

C18H18FN5OS — CID 16618845

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)s1
InChIInChI=1S/C18H18FN5OS/c1-2-15-21-22-18(26-15)20-17(25)16-13-5-3-4-6-14(13)24(23-16)12-9-7-11(19)8-10-12/h7-10H,2-6H2,1H3,(H,20,22,25)
InChIKeyGQOZMHGXPKIWHQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.56
Rot. Bonds4

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 16618845) has the molecular formula C18H18FN5OS and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID16618845
Molecular FormulaC18H18FN5OS
Molecular Weight371.44 g/mol
Exact Mass371.12
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)s1
InChIInChI=1S/C18H18FN5OS/c1-2-15-21-22-18(26-15)20-17(25)16-13-5-3-4-6-14(13)24(23-16)12-9-7-11(19)8-10-12/h7-10H,2-6H2,1H3,(H,20,22,25)
InChIKeyGQOZMHGXPKIWHQ-UHFFFAOYSA-N
XLogP3.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 16618845) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CCc1nnc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is GQOZMHGXPKIWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5OS/c1-2-15-21-22-18(26-15)20-17(25)16-13-5-3-4-6-14(13)24(23-16)12-9-7-11(19)8-10-12/h7-10H,2-6H2,1H3,(H,20,22,25).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 16618845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).