N-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine

C15H9ClF3N5S2 — CID 2745966

IUPACN-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(Nc3ccc(Cl)cc3)n2)sc2nc(C(F)(F)F)nn12
InChIInChI=1S/C15H9ClF3N5S2/c1-7-11(26-14-22-12(15(17,18)19)23-24(7)14)10-6-25-13(21-10)20-9-4-2-8(16)3-5-9/h2-6H,1H3,(H,20,21)
InChIKeyKDIWGABJBYZXNI-UHFFFAOYSA-N
MW415.85 g/mol
LogP5.64
Rot. Bonds3

About N-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine

N-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 2745966) has the molecular formula C15H9ClF3N5S2 and a molecular weight of 415.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine
PubChem CID2745966
Molecular FormulaC15H9ClF3N5S2
Molecular Weight415.85 g/mol
Exact Mass414.99
IUPAC NameN-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(Nc3ccc(Cl)cc3)n2)sc2nc(C(F)(F)F)nn12
InChIInChI=1S/C15H9ClF3N5S2/c1-7-11(26-14-22-12(15(17,18)19)23-24(7)14)10-6-25-13(21-10)20-9-4-2-8(16)3-5-9/h2-6H,1H3,(H,20,21)
InChIKeyKDIWGABJBYZXNI-UHFFFAOYSA-N
XLogP5.64
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.85
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(4-Chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
CID 3112398
5-[2-(4-Chlorophenyl)-1,3-thiazol-4-yl]-6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 2745965
1-(4-chlorophenyl)-5-[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-1,2,4-triazole
CID 1483660
5-{[1-(3-chloro-4-fluorophenyl)-3-methyl-1H-1,2,4-triazol-5-yl]methyl}-4-methyl-1,3-thiazol-2-amine
CID 72843605
N-(4-chlorophenyl)-3-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 16762173
N-[4-(6-methyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-yl]-N-phenylamine
CID 1487461
N-(4-chlorophenyl)-4-(6-methyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-1,3-thiazol-2-amine
CID 1487462
1-(4-Chlorophenyl)-3-(2-(2-(thiophen-2-yl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)urea
CID 45569965
1-(3-Chlorophenyl)-3-(2-(2-(thiophen-2-yl)thiazolo[3,2-b][1,2,4]triazol-6-yl)ethyl)urea
CID 45569966
6-chloro-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine
CID 108772191
6-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-benzothiazol-2-amine
CID 108776564
1-(4-Chlorophenyl)-3-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)urea
CID 108780553

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine (CID 2745966) is N-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine is Cc1c(-c2csc(Nc3ccc(Cl)cc3)n2)sc2nc(C(F)(F)F)nn12.
What is the InChIKey of N-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is KDIWGABJBYZXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N5S2/c1-7-11(26-14-22-12(15(17,18)19)23-24(7)14)10-6-25-13(21-10)20-9-4-2-8(16)3-5-9/h2-6H,1H3,(H,20,21).
What are the key properties of N-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine?
N-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 415.85 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[6-methyl-2-(trifluoromethyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2745966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).