3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline

C16H15N3S — CID 107504187

IUPAC3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
SMILESCc1cc(-c2nc(-c3cccc(N)c3)cs2)cc(C)n1
InChIInChI=1S/C16H15N3S/c1-10-6-13(7-11(2)18-10)16-19-15(9-20-16)12-4-3-5-14(17)8-12/h3-9H,17H2,1-2H3
InChIKeyOFUPIDHVBTVWJP-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.07
Rot. Bonds2

About 3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline

3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline (PubChem CID 107504187) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline.

Molecular Properties

Compound Name3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
PubChem CID107504187
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline
SMILESCc1cc(-c2nc(-c3cccc(N)c3)cs2)cc(C)n1
InChIInChI=1S/C16H15N3S/c1-10-6-13(7-11(2)18-10)16-19-15(9-20-16)12-4-3-5-14(17)8-12/h3-9H,17H2,1-2H3
InChIKeyOFUPIDHVBTVWJP-UHFFFAOYSA-N
XLogP4.07
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667884
3-(4-methyl-1,3-thiazol-2-yl)aniline
CID 7148568
3-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 7148555
3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667919
3-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]aniline
CID 103374862
4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 46398312
3-(4-pyridin-2-yl-1,3-thiazol-2-yl)aniline
CID 7148715
3-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 62331130
3-[4-(1,3-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]aniline
CID 65197542
4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375
3-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]aniline
CID 43667895

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
The IUPAC name of 3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline (CID 107504187) is 3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline.
What is the SMILES notation for 3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
The canonical SMILES for 3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline is Cc1cc(-c2nc(-c3cccc(N)c3)cs2)cc(C)n1.
What is the InChIKey of 3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
The InChIKey is OFUPIDHVBTVWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-10-6-13(7-11(2)18-10)16-19-15(9-20-16)12-4-3-5-14(17)8-12/h3-9H,17H2,1-2H3.
What are the key properties of 3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline?
3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline has a molecular weight of 281.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]aniline is sourced from PubChem (CID 107504187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).