5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline

C19H18N4S — CID 166735767

IUPAC5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline
SMILES[H]/N=C(\C=C\c1ccccn1)c1ccc(-c2sc(C)nc2C)cc1N
InChIInChI=1S/C19H18N4S/c1-12-19(24-13(2)23-12)14-6-8-16(18(21)11-14)17(20)9-7-15-5-3-4-10-22-15/h3-11,20H,21H2,1-2H3/b9-7+,20-17+
InChIKeyMORARLDNALFJLR-GHSISJBBSA-N
MW334.45 g/mol
LogP4.49
Rot. Bonds4

About 5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline

5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline (PubChem CID 166735767) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is 5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline.

Molecular Properties

Compound Name5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline
PubChem CID166735767
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline
SMILES[H]/N=C(\C=C\c1ccccn1)c1ccc(-c2sc(C)nc2C)cc1N
InChIInChI=1S/C19H18N4S/c1-12-19(24-13(2)23-12)14-6-8-16(18(21)11-14)17(20)9-7-15-5-3-4-10-22-15/h3-11,20H,21H2,1-2H3/b9-7+,20-17+
InChIKeyMORARLDNALFJLR-GHSISJBBSA-N
XLogP4.49
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline?
The IUPAC name of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline (CID 166735767) is 5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline.
What is the SMILES notation for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline?
The canonical SMILES for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline is [H]/N=C(\C=C\c1ccccn1)c1ccc(-c2sc(C)nc2C)cc1N.
What is the InChIKey of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline?
The InChIKey is MORARLDNALFJLR-GHSISJBBSA-N. The full InChI is InChI=1S/C19H18N4S/c1-12-19(24-13(2)23-12)14-6-8-16(18(21)11-14)17(20)9-7-15-5-3-4-10-22-15/h3-11,20H,21H2,1-2H3/b9-7+,20-17+.
What are the key properties of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline?
5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline has a molecular weight of 334.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[(E)-3-pyridin-2-ylprop-2-enimidoyl]aniline is sourced from PubChem (CID 166735767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).