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

C15H11Cl2N3S — CID 43234391

IUPAC3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESClc1ccc(NCc2csc(-c3ccccn3)n2)cc1Cl
InChIInChI=1S/C15H11Cl2N3S/c16-12-5-4-10(7-13(12)17)19-8-11-9-21-15(20-11)14-3-1-2-6-18-14/h1-7,9,19H,8H2
InChIKeyQNGRWYJBHGARHQ-UHFFFAOYSA-N
MW336.25 g/mol
LogP5.12
Rot. Bonds4

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

3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 43234391) has the molecular formula C15H11Cl2N3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID43234391
Molecular FormulaC15H11Cl2N3S
Molecular Weight336.25 g/mol
Exact Mass335.01
IUPAC Name3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
SMILESClc1ccc(NCc2csc(-c3ccccn3)n2)cc1Cl
InChIInChI=1S/C15H11Cl2N3S/c16-12-5-4-10(7-13(12)17)19-8-11-9-21-15(20-11)14-3-1-2-6-18-14/h1-7,9,19H,8H2
InChIKeyQNGRWYJBHGARHQ-UHFFFAOYSA-N
XLogP5.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338
3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234335
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine
CID 107588206
1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 60711332
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 75385512
(1S)-1-(2-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 51929924
N-(3-chloro-4-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 30424894
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811
2-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]benzonitrile
CID 43234404
4-fluoro-2-iodo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 79759320
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline (CID 43234391) is 3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline is Clc1ccc(NCc2csc(-c3ccccn3)n2)cc1Cl.
What is the InChIKey of 3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is QNGRWYJBHGARHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3S/c16-12-5-4-10(7-13(12)17)19-8-11-9-21-15(20-11)14-3-1-2-6-18-14/h1-7,9,19H,8H2.
What are the key properties of 3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline?
3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 336.25 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 43234391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).