3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline

C15H13N3S — CID 116885240

IUPAC3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline
SMILESCc1nc(-c2cccnc2)sc1-c1cccc(N)c1
InChIInChI=1S/C15H13N3S/c1-10-14(11-4-2-6-13(16)8-11)19-15(18-10)12-5-3-7-17-9-12/h2-9H,16H2,1H3
InChIKeyMROFMJNUBQACTM-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.76
Rot. Bonds2

About 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline

3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline (PubChem CID 116885240) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline.

Molecular Properties

Compound Name3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline
PubChem CID116885240
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline
SMILESCc1nc(-c2cccnc2)sc1-c1cccc(N)c1
InChIInChI=1S/C15H13N3S/c1-10-14(11-4-2-6-13(16)8-11)19-15(18-10)12-5-3-7-17-9-12/h2-9H,16H2,1H3
InChIKeyMROFMJNUBQACTM-UHFFFAOYSA-N
XLogP3.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.76
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-[5-(4-fluorophenyl)-4-methyl-1,3-thiazol-2-yl]aniline
CID 114832647
4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416122
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
5-[2-(4,6-dimethylpyrimidin-2-yl)-1,3-thiazol-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 58416158
3-pyridin-3-ylaniline;dihydrochloride
CID 21146183
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
2-(4-methylphenyl)-5-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3,4-oxadiazole
CID 127050739
3-(4-methyl-2-propyl-1,3-thiazol-5-yl)aniline
CID 116885231
4-methyl-5-(2-pyrazin-2-ylpyrimidin-4-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416167
4-methyl-2-[3-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]phenyl]-5-pyridin-3-yl-1,3-thiazole
CID 140765089
4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline
CID 58200398
3-methyl-6-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrazolo[5,4-b]pyridine-1-carboxamide
CID 123417106

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline?
The IUPAC name of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline (CID 116885240) is 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline.
What is the SMILES notation for 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline?
The canonical SMILES for 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline is Cc1nc(-c2cccnc2)sc1-c1cccc(N)c1.
What is the InChIKey of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline?
The InChIKey is MROFMJNUBQACTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-10-14(11-4-2-6-13(16)8-11)19-15(18-10)12-5-3-7-17-9-12/h2-9H,16H2,1H3.
What are the key properties of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline?
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline has a molecular weight of 267.36 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)aniline is sourced from PubChem (CID 116885240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).