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

C18H14F3N3S — CID 168617644

IUPAC4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(-c3ccccc3C(F)(F)F)cc2)n1
InChIInChI=1S/C18H14F3N3S/c1-12-11-25-17(23-12)24-22-10-13-6-8-14(9-7-13)15-4-2-3-5-16(15)18(19,20)21/h2-11H,1H3,(H,23,24)
InChIKeyYARKXNXHOSIHOA-UHFFFAOYSA-N
MW361.39 g/mol
LogP5.58
Rot. Bonds4

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

4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168617644) has the molecular formula C18H14F3N3S and a molecular weight of 361.39 g/mol. Its IUPAC name is 4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID168617644
Molecular FormulaC18H14F3N3S
Molecular Weight361.39 g/mol
Exact Mass361.09
IUPAC Name4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(-c3ccccc3C(F)(F)F)cc2)n1
InChIInChI=1S/C18H14F3N3S/c1-12-11-25-17(23-12)24-22-10-13-6-8-14(9-7-13)15-4-2-3-5-16(15)18(19,20)21/h2-11H,1H3,(H,23,24)
InChIKeyYARKXNXHOSIHOA-UHFFFAOYSA-N
XLogP5.58
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.39
LogP ≤ 55.58
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-[[4-(2-chlorophenyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617180
4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine
CID 168619215
4-methyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616897
N-[(4-methoxy-3-phenylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619151
4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617739
4-phenyl-N-[[4-[3-(trifluoromethyl)-2-pyridinyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577659
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
2-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625820
N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617137
4-methyl-N-[(4-methylsulfonylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 168600655
N-[[3-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619158
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-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 168617644) is 4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine is Cc1csc(NN=Cc2ccc(-c3ccccc3C(F)(F)F)cc2)n1.
What is the InChIKey of 4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is YARKXNXHOSIHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3S/c1-12-11-25-17(23-12)24-22-10-13-6-8-14(9-7-13)15-4-2-3-5-16(15)18(19,20)21/h2-11H,1H3,(H,23,24).
What are the key properties of 4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 361.39 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168617644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).