N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide

C18H15FN4OS2 — CID 7287081

IUPACN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide
SMILESCc1c(CCNC(=O)c2cccs2)sc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C18H15FN4OS2/c1-11-14(8-9-20-17(24)15-3-2-10-25-15)26-18-21-16(22-23(11)18)12-4-6-13(19)7-5-12/h2-7,10H,8-9H2,1H3,(H,20,24)
InChIKeyKGXCKKHJKTZNSI-UHFFFAOYSA-N
MW386.48 g/mol
LogP3.94
Rot. Bonds5

About N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide

N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide (PubChem CID 7287081) has the molecular formula C18H15FN4OS2 and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide
PubChem CID7287081
Molecular FormulaC18H15FN4OS2
Molecular Weight386.48 g/mol
Exact Mass386.07
IUPAC NameN-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide
SMILESCc1c(CCNC(=O)c2cccs2)sc2nc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C18H15FN4OS2/c1-11-14(8-9-20-17(24)15-3-2-10-25-15)26-18-21-16(22-23(11)18)12-4-6-13(19)7-5-12/h2-7,10H,8-9H2,1H3,(H,20,24)
InChIKeyKGXCKKHJKTZNSI-UHFFFAOYSA-N
XLogP3.94
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide (CID 7287081) is N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide is Cc1c(CCNC(=O)c2cccs2)sc2nc(-c3ccc(F)cc3)nn12.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is KGXCKKHJKTZNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4OS2/c1-11-14(8-9-20-17(24)15-3-2-10-25-15)26-18-21-16(22-23(11)18)12-4-6-13(19)7-5-12/h2-7,10H,8-9H2,1H3,(H,20,24).
What are the key properties of N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide?
N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 7287081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).