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

C17H19F3N4S — CID 168617739

IUPAC4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(N3CCCCC3)c(C(F)(F)F)c2)n1
InChIInChI=1S/C17H19F3N4S/c1-12-11-25-16(22-12)23-21-10-13-5-6-15(14(9-13)17(18,19)20)24-7-3-2-4-8-24/h5-6,9-11H,2-4,7-8H2,1H3,(H,22,23)
InChIKeyRWYYYBYISYTFLJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.91
Rot. Bonds4

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

4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168617739) has the molecular formula C17H19F3N4S and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID168617739
Molecular FormulaC17H19F3N4S
Molecular Weight368.43 g/mol
Exact Mass368.13
IUPAC Name4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc(N3CCCCC3)c(C(F)(F)F)c2)n1
InChIInChI=1S/C17H19F3N4S/c1-12-11-25-16(22-12)23-21-10-13-5-6-15(14(9-13)17(18,19)20)24-7-3-2-4-8-24/h5-6,9-11H,2-4,7-8H2,1H3,(H,22,23)
InChIKeyRWYYYBYISYTFLJ-UHFFFAOYSA-N
XLogP4.91
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine
CID 168619215
4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617644
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
N-[[4-iodo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619225
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol
CID 168619251
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylideneamino)-4-methyl-1,3-thiazol-2-amine
CID 168618421
N-[[3-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619158
ethyl 2-[2-[2-[(3-chloro-4-pyrrolidin-1-ylphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168623517
4-methyl-N-[[3-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168618430
2-bromo-4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822257
N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618351
4-methyl-N-[(2-methylindazol-6-yl)methylideneamino]-1,3-thiazol-2-amine
CID 168619047

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 168617739) is 4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine is Cc1csc(NN=Cc2ccc(N3CCCCC3)c(C(F)(F)F)c2)n1.
What is the InChIKey of 4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is RWYYYBYISYTFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4S/c1-12-11-25-16(22-12)23-21-10-13-5-6-15(14(9-13)17(18,19)20)24-7-3-2-4-8-24/h5-6,9-11H,2-4,7-8H2,1H3,(H,22,23).
What are the key properties of 4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 368.43 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168617739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).