N-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

C17H13F2N3S — CID 168617664

IUPACN-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cccc(-c3ccc(F)cc3F)c2)n1
InChIInChI=1S/C17H13F2N3S/c1-11-10-23-17(21-11)22-20-9-12-3-2-4-13(7-12)15-6-5-14(18)8-16(15)19/h2-10H,1H3,(H,21,22)
InChIKeyPRNCZCAORLGDPZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.84
Rot. Bonds4

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

N-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168617664) has the molecular formula C17H13F2N3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168617664
Molecular FormulaC17H13F2N3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cccc(-c3ccc(F)cc3F)c2)n1
InChIInChI=1S/C17H13F2N3S/c1-11-10-23-17(21-11)22-20-9-12-3-2-4-13(7-12)15-6-5-14(18)8-16(15)19/h2-10H,1H3,(H,21,22)
InChIKeyPRNCZCAORLGDPZ-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-(4-methoxyphenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617631
N-[[3-(1H-imidazol-5-yl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619373
N-[[3-[(3-fluorophenoxy)methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617378
N-[[3-[(2,6-difluorophenoxy)methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617523
3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 4874212
N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618351
N-[(4-methoxy-3-phenylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619151
N-[[3-[(3,4-difluorophenyl)methoxy]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617397
4-methyl-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616900
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616988
4-(4-bromophenyl)-N-[(3-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2787633

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168617664) is N-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=Cc2cccc(-c3ccc(F)cc3F)c2)n1.
What is the InChIKey of N-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is PRNCZCAORLGDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3S/c1-11-10-23-17(21-11)22-20-9-12-3-2-4-13(7-12)15-6-5-14(18)8-16(15)19/h2-10H,1H3,(H,21,22).
What are the key properties of N-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[[3-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-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-(2,4-difluorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168617664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).