3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine

C19H18ClN3S — CID 89360354

IUPAC3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine
SMILESC=C(NCc1ccc(Cc2cccc(Cl)c2)s1)c1cccnc1N
InChIInChI=1S/C19H18ClN3S/c1-13(18-6-3-9-22-19(18)21)23-12-17-8-7-16(24-17)11-14-4-2-5-15(20)10-14/h2-10,23H,1,11-12H2,(H2,21,22)
InChIKeyUWMIVSYTJGTOKV-UHFFFAOYSA-N
MW355.89 g/mol
LogP4.73
Rot. Bonds6

About 3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine

3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine (PubChem CID 89360354) has the molecular formula C19H18ClN3S and a molecular weight of 355.89 g/mol. Its IUPAC name is 3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine
PubChem CID89360354
Molecular FormulaC19H18ClN3S
Molecular Weight355.89 g/mol
Exact Mass355.09
IUPAC Name3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine
SMILESC=C(NCc1ccc(Cc2cccc(Cl)c2)s1)c1cccnc1N
InChIInChI=1S/C19H18ClN3S/c1-13(18-6-3-9-22-19(18)21)23-12-17-8-7-16(24-17)11-14-4-2-5-15(20)10-14/h2-10,23H,1,11-12H2,(H2,21,22)
InChIKeyUWMIVSYTJGTOKV-UHFFFAOYSA-N
XLogP4.73
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine with MolForge

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Related Compounds

N-(5-chloropyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329395
3-(3-Chloro-4-fluorophenyl)-7-(pyridin-3-yl)thieno[3,2-c]pyridin-4-amine
CID 11222000
4-(5-(4-chlorophenyl)thiophen-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 53326402
5-[3-(3-chlorophenyl)-4-pyridinyl]-N-propyl-1,3-thiazol-2-amine
CID 117918840
5-[2-(2-chlorophenyl)-3-pyridinyl]-N-propyl-1,3-thiazol-2-amine
CID 117918947
1-(4-Chlorophenyl)-3-(5-pyridin-3-ylthiophen-2-yl)urea
CID 155436767
5-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3233370
2-(2-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3235233
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)thieno[3,2-c]pyridin-4-amine
CID 44528535
4-(5-(4-Chlorophenyl)thiophen-2-yl)-2-(piperazin-1-yl)pyrimidine
CID 53326403
7-Chloro-2-pyridin-3-yl-5-thiophen-2-yl-3H-benzo[e][1,2,4]triazepine
CID 135427797
3-(3-Chloro-4-fluorophenyl)thieno[3,2-c]pyridin-4-amine
CID 11403217

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine?
The IUPAC name of 3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine (CID 89360354) is 3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine.
What is the SMILES notation for 3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine?
The canonical SMILES for 3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine is C=C(NCc1ccc(Cc2cccc(Cl)c2)s1)c1cccnc1N.
What is the InChIKey of 3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine?
The InChIKey is UWMIVSYTJGTOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3S/c1-13(18-6-3-9-22-19(18)21)23-12-17-8-7-16(24-17)11-14-4-2-5-15(20)10-14/h2-10,23H,1,11-12H2,(H2,21,22).
What are the key properties of 3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine?
3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine has a molecular weight of 355.89 g/mol, XLogP of 4.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[5-[(3-chlorophenyl)methyl]thiophen-2-yl]methylamino]ethenyl]pyridin-2-amine is sourced from PubChem (CID 89360354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).