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

C11H8Cl3N3S — CID 2787296

IUPAC4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2c(Cl)ccc(Cl)c2Cl)n1
InChIInChI=1S/C11H8Cl3N3S/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)
InChIKeyIZWHLJJPFLUZSG-UHFFFAOYSA-N
MW320.63 g/mol
LogP4.86
Rot. Bonds3

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

4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 2787296) has the molecular formula C11H8Cl3N3S and a molecular weight of 320.63 g/mol. Its IUPAC name is 4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID2787296
Molecular FormulaC11H8Cl3N3S
Molecular Weight320.63 g/mol
Exact Mass318.95
IUPAC Name4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2c(Cl)ccc(Cl)c2Cl)n1
InChIInChI=1S/C11H8Cl3N3S/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)
InChIKeyIZWHLJJPFLUZSG-UHFFFAOYSA-N
XLogP4.86
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.63
LogP ≤ 54.86
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-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617104
N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617137
N-[(6-chloro-2,3-difluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617069
N-[(2,6-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616905
N-[(6-bromo-3-chloro-2-phenoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618982
N-[(4-bromo-3-chloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619608
N-[[4-(4-chlorophenyl)sulfonylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617650
N-[[4-(2-chlorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617180
N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618080
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
N-[[4-(4-chlorophenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617133
N-[[4-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618079

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine (CID 2787296) is 4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine is Cc1csc(NN=Cc2c(Cl)ccc(Cl)c2Cl)n1.
What is the InChIKey of 4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is IZWHLJJPFLUZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3S/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 4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine?
4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 320.63 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 2787296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).