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

C16H12Cl2N4S — CID 118712447

IUPAC4-(2,4-dichlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccn1
InChIInChI=1S/C16H12Cl2N4S/c1-10(14-4-2-3-7-19-14)21-22-16-20-15(9-23-16)12-6-5-11(17)8-13(12)18/h2-9H,1H3,(H,20,22)/b21-10+
InChIKeyCUEHPRFMGPZGQA-UFFVCSGVSA-N
MW363.27 g/mol
LogP5.35
Rot. Bonds4

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

4-(2,4-dichlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 118712447) has the molecular formula C16H12Cl2N4S and a molecular weight of 363.27 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine
PubChem CID118712447
Molecular FormulaC16H12Cl2N4S
Molecular Weight363.27 g/mol
Exact Mass362.02
IUPAC Name4-(2,4-dichlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccn1
InChIInChI=1S/C16H12Cl2N4S/c1-10(14-4-2-3-7-19-14)21-22-16-20-15(9-23-16)12-6-5-11(17)8-13(12)18/h2-9H,1H3,(H,20,22)/b21-10+
InChIKeyCUEHPRFMGPZGQA-UFFVCSGVSA-N
XLogP5.35
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.27
LogP ≤ 55.35
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
(4-Chloro-phenyl)-(4-pyridin-4-yl-thiazol-2-yl)-amine
CID 704499
Isonicotinaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 9572803
N-(5-chloro-2-methylphenyl)-4-(3-pyridinyl)-1,3-thiazol-2-amine
CID 2213802
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
N-(4-chlorophenyl)-4-(3-pyridinyl)-1,3-thiazol-2-amine
CID 704584
Tyrosinase-IN-12
CID 6322770
N-(3-Chlorophenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 1092467
1-[(2-Chlorophenyl)methyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 87405928

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine (CID 118712447) is 4-(2,4-dichlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine is C/C(=N\Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccn1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is CUEHPRFMGPZGQA-UFFVCSGVSA-N. The full InChI is InChI=1S/C16H12Cl2N4S/c1-10(14-4-2-3-7-19-14)21-22-16-20-15(9-23-16)12-6-5-11(17)8-13(12)18/h2-9H,1H3,(H,20,22)/b21-10+.
What are the key properties of 4-(2,4-dichlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine?
4-(2,4-dichlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 363.27 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 118712447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).