N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine

C11H8Cl2FN3S — CID 168617104

IUPACN-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2c(Cl)ccc(Cl)c2F)n1
InChIInChI=1S/C11H8Cl2FN3S/c1-6-5-18-11(16-6)17-15-4-7-8(12)2-3-9(13)10(7)14/h2-5H,1H3,(H,16,17)
InChIKeyFGCUFIVLILUBMK-UHFFFAOYSA-N
MW304.18 g/mol
LogP4.34
Rot. Bonds3

About N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168617104) has the molecular formula C11H8Cl2FN3S and a molecular weight of 304.18 g/mol. Its IUPAC name is N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168617104
Molecular FormulaC11H8Cl2FN3S
Molecular Weight304.18 g/mol
Exact Mass302.98
IUPAC NameN-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2c(Cl)ccc(Cl)c2F)n1
InChIInChI=1S/C11H8Cl2FN3S/c1-6-5-18-11(16-6)17-15-4-7-8(12)2-3-9(13)10(7)14/h2-5H,1H3,(H,16,17)
InChIKeyFGCUFIVLILUBMK-UHFFFAOYSA-N
XLogP4.34
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(6-chloro-2,3-difluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617069
4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2787296
N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617137
N-[(4-bromo-3-chloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619608
N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618351
N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618071
N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577585
N-[(2,6-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616905
N-[[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617402
N-[(6-bromo-3-chloro-2-phenoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618982
N-[(3-bromo-4-fluoro-2,6-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619430
3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168619710

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168617104) is N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=Cc2c(Cl)ccc(Cl)c2F)n1.
What is the InChIKey of N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is FGCUFIVLILUBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3S/c1-6-5-18-11(16-6)17-15-4-7-8(12)2-3-9(13)10(7)14/h2-5H,1H3,(H,16,17).
What are the key properties of N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 304.18 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168617104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).