4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline

C11H10N4S — CID 82166619

IUPAC4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
SMILESCc1csc2nnc(-c3ccc(N)cc3)n12
InChIInChI=1S/C11H10N4S/c1-7-6-16-11-14-13-10(15(7)11)8-2-4-9(12)5-3-8/h2-6H,12H2,1H3
InChIKeyLYWAPDYXIUODAK-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.35
Rot. Bonds1

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

4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline (PubChem CID 82166619) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline.

Molecular Properties

Compound Name4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
PubChem CID82166619
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
SMILESCc1csc2nnc(-c3ccc(N)cc3)n12
InChIInChI=1S/C11H10N4S/c1-7-6-16-11-14-13-10(15(7)11)8-2-4-9(12)5-3-8/h2-6H,12H2,1H3
InChIKeyLYWAPDYXIUODAK-UHFFFAOYSA-N
XLogP2.35
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
CID 82166836
2-[3-(4-chlorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]ethanamine
CID 98022087
4-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)aniline
CID 82167434
3-(4-methoxyphenyl)-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 10935707
5-(4-bromophenyl)-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 4057474
4-(6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline
CID 82484120
4-[4,5-bis(4-aminophenyl)-1,2,4-triazol-3-yl]aniline
CID 166524115
2-[5-(3,4-dimethylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]ethanamine
CID 82166795
3-(5-tert-butyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-4-methoxyaniline
CID 82166687
4-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline
CID 39079843
2-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194944
3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068664

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline?
The IUPAC name of 4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline (CID 82166619) is 4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline.
What is the SMILES notation for 4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline?
The canonical SMILES for 4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline is Cc1csc2nnc(-c3ccc(N)cc3)n12.
What is the InChIKey of 4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline?
The InChIKey is LYWAPDYXIUODAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-7-6-16-11-14-13-10(15(7)11)8-2-4-9(12)5-3-8/h2-6H,12H2,1H3.
What are the key properties of 4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline?
4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline has a molecular weight of 230.30 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline is sourced from PubChem (CID 82166619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).