4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine

C16H13ClN4S — CID 90481668

IUPAC4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccn1
InChIInChI=1S/C16H13ClN4S/c1-11(14-4-2-3-9-18-14)20-21-16-19-15(10-22-16)12-5-7-13(17)8-6-12/h2-10H,1H3,(H,19,21)/b20-11+
InChIKeyBURSBQLPMYQBJO-RGVLZGJSSA-N
MW328.83 g/mol
LogP4.69
Rot. Bonds4

About 4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 90481668) has the molecular formula C16H13ClN4S and a molecular weight of 328.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine
PubChem CID90481668
Molecular FormulaC16H13ClN4S
Molecular Weight328.83 g/mol
Exact Mass328.05
IUPAC Name4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccn1
InChIInChI=1S/C16H13ClN4S/c1-11(14-4-2-3-9-18-14)20-21-16-19-15(10-22-16)12-5-7-13(17)8-6-12/h2-10H,1H3,(H,19,21)/b20-11+
InChIKeyBURSBQLPMYQBJO-RGVLZGJSSA-N
XLogP4.69
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-Chlorophenyl)-2-pyridin-4-yl-1,3-thiazole
CID 2806768
(5-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 972993
N2-(3-pyridyl)-4-(3-chlorophenyl)-1,3-thiazol-2-amine
CID 2740205
(4-Chloro-phenyl)-(4-pyridin-4-yl-thiazol-2-yl)-amine
CID 704499
Isonicotinaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 9572803
(3-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 1092429
N-(5-chloro-2-methylphenyl)-4-(3-pyridinyl)-1,3-thiazol-2-amine
CID 2213802
N-(3-{2-[(5-chloro-2-pyridinyl)amino]-1,3-thiazol-4-yl}phenyl)acetamide
CID 2215490
N2-(3-pyridyl)-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 2725904
N2-(3-pyridyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine
CID 2740204
N-(3-chloro-4-methylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 4542386
3-[(Z)-[2-(4-Methyl-1,3-thiazol-2-YL)hydrazin-1-ylidene]methyl]pyridine
CID 5473672

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine (CID 90481668) is 4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine is C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccn1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is BURSBQLPMYQBJO-RGVLZGJSSA-N. The full InChI is InChI=1S/C16H13ClN4S/c1-11(14-4-2-3-9-18-14)20-21-16-19-15(10-22-16)12-5-7-13(17)8-6-12/h2-10H,1H3,(H,19,21)/b20-11+.
What are the key properties of 4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 328.83 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 90481668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).