4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline

C17H14N4S — CID 82166836

IUPAC4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
SMILESCc1sc2nnc(-c3ccc(N)cc3)n2c1-c1ccccc1
InChIInChI=1S/C17H14N4S/c1-11-15(12-5-3-2-4-6-12)21-16(19-20-17(21)22-11)13-7-9-14(18)10-8-13/h2-10H,18H2,1H3
InChIKeyNSVHSPBOVPSACQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP4.02
Rot. Bonds2

About 4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline

4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline (PubChem CID 82166836) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline.

Molecular Properties

Compound Name4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
PubChem CID82166836
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
SMILESCc1sc2nnc(-c3ccc(N)cc3)n2c1-c1ccccc1
InChIInChI=1S/C17H14N4S/c1-11-15(12-5-3-2-4-6-12)21-16(19-20-17(21)22-11)13-7-9-14(18)10-8-13/h2-10H,18H2,1H3
InChIKeyNSVHSPBOVPSACQ-UHFFFAOYSA-N
XLogP4.02
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 54.02
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

3-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)propanoic acid
CID 82166833
4-(5-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline
CID 82166619
6-methyl-5-phenyl-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione
CID 89466120
4-(6-methoxy-[1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-yl)aniline
CID 82167434
1-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 14925903
2-methyl-1-phenyl-[1,3]thiazolo[3,2-a]quinazolin-5-one
CID 12072605
2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200734
4-(6-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)aniline
CID 82484120
2-methyl-1-phenylimidazo[2,1-b][1,3]benzothiazole
CID 142553581
4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline
CID 58200398
6-(4-ethylphenyl)-2-methyl-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198440
1-(4-hexoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 139086589

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline?
The IUPAC name of 4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline (CID 82166836) is 4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline.
What is the SMILES notation for 4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline?
The canonical SMILES for 4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline is Cc1sc2nnc(-c3ccc(N)cc3)n2c1-c1ccccc1.
What is the InChIKey of 4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline?
The InChIKey is NSVHSPBOVPSACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-11-15(12-5-3-2-4-6-12)21-16(19-20-17(21)22-11)13-7-9-14(18)10-8-13/h2-10H,18H2,1H3.
What are the key properties of 4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline?
4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline has a molecular weight of 306.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)aniline is sourced from PubChem (CID 82166836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).