N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine

C16H9Cl2F3N4S — CID 171980649

IUPACN-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1nc(N/N=C/c2ccc(Cl)cc2Cl)sc1-c1ccccn1
InChIInChI=1S/C16H9Cl2F3N4S/c17-10-5-4-9(11(18)7-10)8-23-25-15-24-14(16(19,20)21)13(26-15)12-3-1-2-6-22-12/h1-8H,(H,24,25)/b23-8+
InChIKeyOOGCNQQNZYVMDA-LIMNOBDPSA-N
MW417.24 g/mol
LogP5.98
Rot. Bonds4

About N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 171980649) has the molecular formula C16H9Cl2F3N4S and a molecular weight of 417.24 g/mol. Its IUPAC name is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID171980649
Molecular FormulaC16H9Cl2F3N4S
Molecular Weight417.24 g/mol
Exact Mass415.99
IUPAC NameN-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1nc(N/N=C/c2ccc(Cl)cc2Cl)sc1-c1ccccn1
InChIInChI=1S/C16H9Cl2F3N4S/c17-10-5-4-9(11(18)7-10)8-23-25-15-24-14(16(19,20)21)13(26-15)12-3-1-2-6-22-12/h1-8H,(H,24,25)/b23-8+
InChIKeyOOGCNQQNZYVMDA-LIMNOBDPSA-N
XLogP5.98
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.24
LogP ≤ 55.98
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

methyl 2-[2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1,3-thiazole-4-carboxylate
CID 3258589
N-[(2,4-dichlorophenyl)methylideneamino]-3-(trifluoromethyl)quinoxaline-2-carboxamide
CID 2809341
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-5-(4-nitrophenyl)-4-phenyl-1,3-thiazol-2-amine
CID 94848933
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-[[3-[[2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]diazenyl]phenyl]diazenyl]-4-methyl-1,3-thiazol-2-amine
CID 139237894
4-(2,4-dichlorophenyl)-N-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-amine
CID 3793731
2-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-ol
CID 71600038
N-[(E)-(2,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
CID 139068920
N-[2-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzamide
CID 27315818
N-[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]-1,3-benzothiazol-2-amine
CID 126225136
4-N-[(2,4-dichlorophenyl)methylideneamino]-2-N,2-N-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 2826843
2,4-dichloro-6-[(Z)-[[4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135892476
2-(1,3-benzothiazol-2-ylamino)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 9030524

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 171980649) is N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine is FC(F)(F)c1nc(N/N=C/c2ccc(Cl)cc2Cl)sc1-c1ccccn1.
What is the InChIKey of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is OOGCNQQNZYVMDA-LIMNOBDPSA-N. The full InChI is InChI=1S/C16H9Cl2F3N4S/c17-10-5-4-9(11(18)7-10)8-23-25-15-24-14(16(19,20)21)13(26-15)12-3-1-2-6-22-12/h1-8H,(H,24,25)/b23-8+.
What are the key properties of N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 417.24 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dichlorophenyl)methylideneamino]-5-pyridin-2-yl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 171980649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).