2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine

C12H11ClN4S — CID 98022087

IUPAC2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine
SMILESNCCc1csc2nnc(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C12H11ClN4S/c13-9-3-1-8(2-4-9)11-15-16-12-17(11)10(5-6-14)7-18-12/h1-4,7H,5-6,14H2
InChIKeyIARWIEPFSKUGAT-UHFFFAOYSA-N
MW278.77 g/mol
LogP2.61
Rot. Bonds3

About 2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine

2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine (PubChem CID 98022087) has the molecular formula C12H11ClN4S and a molecular weight of 278.77 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine
PubChem CID98022087
Molecular FormulaC12H11ClN4S
Molecular Weight278.77 g/mol
Exact Mass278.04
IUPAC Name2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine
SMILESNCCc1csc2nnc(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C12H11ClN4S/c13-9-3-1-8(2-4-9)11-15-16-12-17(11)10(5-6-14)7-18-12/h1-4,7H,5-6,14H2
InChIKeyIARWIEPFSKUGAT-UHFFFAOYSA-N
XLogP2.61
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
CID 82166619
2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
CID 82166795
2-[3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195092
1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 14925903
3-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068413
3-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 24886930
(6E)-3-(4-chlorophenyl)-6-[(4-methylphenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 2007006
(6E)-6-benzylidene-3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6371569
2-(5-methylimidazo[5,1-b][1,3]thiazol-3-yl)ethanamine
CID 84718578
2-[3-(4-chlorophenyl)-2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39195012
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
CID 7170309
5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 4057474

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine (CID 98022087) is 2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine is NCCc1csc2nnc(-c3ccc(Cl)cc3)n12.
What is the InChIKey of 2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine?
The InChIKey is IARWIEPFSKUGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S/c13-9-3-1-8(2-4-9)11-15-16-12-17(11)10(5-6-14)7-18-12/h1-4,7H,5-6,14H2.
What are the key properties of 2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine?
2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine has a molecular weight of 278.77 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine is sourced from PubChem (CID 98022087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).