3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline

C16H15N3S — CID 43234335

IUPAC3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1cccc(NCc2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H15N3S/c1-12-5-4-6-13(9-12)18-10-14-11-20-16(19-14)15-7-2-3-8-17-15/h2-9,11,18H,10H2,1H3
InChIKeyVIFRHKQAZIGZSR-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.13
Rot. Bonds4

About 3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline

3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 43234335) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID43234335
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1cccc(NCc2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H15N3S/c1-12-5-4-6-13(9-12)18-10-14-11-20-16(19-14)15-7-2-3-8-17-15/h2-9,11,18H,10H2,1H3
InChIKeyVIFRHKQAZIGZSR-UHFFFAOYSA-N
XLogP4.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234391
4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine
CID 107588206
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline
CID 43407810
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 75385512
2-bromo-6-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 107598427
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 63280035
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 62396715
2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile
CID 43234404
1-methoxy-2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 115608060

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline (CID 43234335) is 3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline is Cc1cccc(NCc2csc(-c3ccccn3)n2)c1.
What is the InChIKey of 3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is VIFRHKQAZIGZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-12-5-4-6-13(9-12)18-10-14-11-20-16(19-14)15-7-2-3-8-17-15/h2-9,11,18H,10H2,1H3.
What are the key properties of 3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 281.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 43234335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).