N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

C17H13F2N3S — CID 168578871

IUPACN-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1c(F)cc(F)cc1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13F2N3S/c1-11-13(7-14(18)8-15(11)19)9-20-22-17-21-16(10-23-17)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,22)
InChIKeyUVXCCRMOWNUOQY-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.84
Rot. Bonds4

About N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine

N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 168578871) has the molecular formula C17H13F2N3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
PubChem CID168578871
Molecular FormulaC17H13F2N3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
SMILESCc1c(F)cc(F)cc1C=NNc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H13F2N3S/c1-11-13(7-14(18)8-15(11)19)9-20-22-17-21-16(10-23-17)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,22)
InChIKeyUVXCCRMOWNUOQY-UHFFFAOYSA-N
XLogP4.84
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.84
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-fluoro-5-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577384
N-[(2-butoxy-3,5-difluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577219
N-[(6-chloro-2,4-difluoro-3-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577585
N-[(2,4-difluoro-5-iodophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577440
N-[(2-ethynyl-5-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577669
4-(4-fluorophenyl)-N-[(Z)-(2-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42459700
N-[(3-bromo-2,4-difluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578789
4-(4-fluorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6107922
N-[(2,4-difluoro-3-methoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577365
N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578202
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577342
N-[(4-bromo-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578465

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine (CID 168578871) is N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is Cc1c(F)cc(F)cc1C=NNc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is UVXCCRMOWNUOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3S/c1-11-13(7-14(18)8-15(11)19)9-20-22-17-21-16(10-23-17)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,22).
What are the key properties of N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine?
N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 329.38 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluoro-2-methylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168578871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).