N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C17H12ClF2N3S — CID 168577585

IUPACN-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1c(F)cc(Cl)c(C=NNc2nc(-c3ccccc3)cs2)c1F
InChIInChI=1S/C17H12ClF2N3S/c1-10-14(19)7-13(18)12(16(10)20)8-21-23-17-22-15(9-24-17)11-5-3-2-4-6-11/h2-9H,1H3,(H,22,23)
InChIKeyMSYIUXNOMGOTPB-UHFFFAOYSA-N
MW363.82 g/mol
LogP5.50
Rot. Bonds4

About N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168577585) has the molecular formula C17H12ClF2N3S and a molecular weight of 363.82 g/mol. Its IUPAC name is N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168577585
Molecular FormulaC17H12ClF2N3S
Molecular Weight363.82 g/mol
Exact Mass363.04
IUPAC NameN-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1c(F)cc(Cl)c(C=NNc2nc(-c3ccccc3)cs2)c1F
InChIInChI=1S/C17H12ClF2N3S/c1-10-14(19)7-13(18)12(16(10)20)8-21-23-17-22-15(9-24-17)11-5-3-2-4-6-11/h2-9H,1H3,(H,22,23)
InChIKeyMSYIUXNOMGOTPB-UHFFFAOYSA-N
XLogP5.50
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.82
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578871
4-chloro-3,6-dimethyl-2-[[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168576736
N-[(3-chloro-4-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577116
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 42336365
N-[(3-chloro-2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576673
N-[(3-fluoro-5-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577384
N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577370
N-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578789
ethyl 2-[2-[2-[(6-chloro-2,4-difluoro-3-methylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168625351
N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577440
N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617104
N-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577365

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168577585) is N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is Cc1c(F)cc(Cl)c(C=NNc2nc(-c3ccccc3)cs2)c1F.
What is the InChIKey of N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is MSYIUXNOMGOTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3S/c1-10-14(19)7-13(18)12(16(10)20)8-21-23-17-22-15(9-24-17)11-5-3-2-4-6-11/h2-9H,1H3,(H,22,23).
What are the key properties of N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 363.82 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168577585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).