N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide

C15H11ClF3N5OS — CID 2314132

IUPACN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1c(Cl)nc2sccn12
InChIInChI=1S/C15H11ClF3N5OS/c16-13-11(24-4-5-26-14(24)22-13)7-21-23-12(25)8-20-10-3-1-2-9(6-10)15(17,18)19/h1-7,20H,8H2,(H,23,25)
InChIKeyNYAQJZIAOJXMGO-UHFFFAOYSA-N
MW401.80 g/mol
LogP3.63
Rot. Bonds5

About N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide

N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 2314132) has the molecular formula C15H11ClF3N5OS and a molecular weight of 401.80 g/mol. Its IUPAC name is N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID2314132
Molecular FormulaC15H11ClF3N5OS
Molecular Weight401.80 g/mol
Exact Mass401.03
IUPAC NameN-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1c(Cl)nc2sccn12
InChIInChI=1S/C15H11ClF3N5OS/c16-13-11(24-4-5-26-14(24)22-13)7-21-23-12(25)8-20-10-3-1-2-9(6-10)15(17,18)19/h1-7,20H,8H2,(H,23,25)
InChIKeyNYAQJZIAOJXMGO-UHFFFAOYSA-N
XLogP3.63
TPSA70.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.80
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(3,4-dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 2353624
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135852666
N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 7929512
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 136852090
N-[(E)-(3-bromophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6902080
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135717023
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135659384
N-[[4-(diethylamino)phenyl]methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 2353577
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 7922707
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 137070113
N-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 3474608
N-[(Z)-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4-ethoxybenzamide
CID 9214908

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide (CID 2314132) is N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is O=C(CNc1cccc(C(F)(F)F)c1)NN=Cc1c(Cl)nc2sccn12.
What is the InChIKey of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is NYAQJZIAOJXMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N5OS/c16-13-11(24-4-5-26-14(24)22-13)7-21-23-12(25)8-20-10-3-1-2-9(6-10)15(17,18)19/h1-7,20H,8H2,(H,23,25).
What are the key properties of N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 401.80 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 2314132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).