N-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide

C18H14FN5OS — CID 164889560

IUPACN-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2nc3ccccc3s2)nnn1-c1ccccc1F
InChIInChI=1S/C18H14FN5OS/c1-2-13-16(22-23-24(13)14-9-5-3-7-11(14)19)17(25)21-18-20-12-8-4-6-10-15(12)26-18/h3-10H,2H2,1H3,(H,20,21,25)
InChIKeyAAMWVBHPAYNGRR-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.83
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide

N-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide (PubChem CID 164889560) has the molecular formula C18H14FN5OS and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide
PubChem CID164889560
Molecular FormulaC18H14FN5OS
Molecular Weight367.41 g/mol
Exact Mass367.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2nc3ccccc3s2)nnn1-c1ccccc1F
InChIInChI=1S/C18H14FN5OS/c1-2-13-16(22-23-24(13)14-9-5-3-7-11(14)19)17(25)21-18-20-12-8-4-6-10-15(12)26-18/h3-10H,2H2,1H3,(H,20,21,25)
InChIKeyAAMWVBHPAYNGRR-UHFFFAOYSA-N
XLogP3.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide (CID 164889560) is N-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide is CCc1c(C(=O)Nc2nc3ccccc3s2)nnn1-c1ccccc1F.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide?
The InChIKey is AAMWVBHPAYNGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5OS/c1-2-13-16(22-23-24(13)14-9-5-3-7-11(14)19)17(25)21-18-20-12-8-4-6-10-15(12)26-18/h3-10H,2H2,1H3,(H,20,21,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-5-ethyl-1-(2-fluorophenyl)triazole-4-carboxamide is sourced from PubChem (CID 164889560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).