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

C19H23F3N4S — CID 168619429

IUPAC4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cccc(CCN3CCC(C(F)(F)F)CC3)c2)n1
InChIInChI=1S/C19H23F3N4S/c1-14-13-27-18(24-14)25-23-12-16-4-2-3-15(11-16)5-8-26-9-6-17(7-10-26)19(20,21)22/h2-4,11-13,17H,5-10H2,1H3,(H,24,25)
InChIKeyLVDCKUHYSGJACI-UHFFFAOYSA-N
MW396.48 g/mol
LogP4.71
Rot. Bonds6

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

4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168619429) has the molecular formula C19H23F3N4S and a molecular weight of 396.48 g/mol. Its IUPAC name is 4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID168619429
Molecular FormulaC19H23F3N4S
Molecular Weight396.48 g/mol
Exact Mass396.16
IUPAC Name4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cccc(CCN3CCC(C(F)(F)F)CC3)c2)n1
InChIInChI=1S/C19H23F3N4S/c1-14-13-27-18(24-14)25-23-12-16-4-2-3-15(11-16)5-8-26-9-6-17(7-10-26)19(20,21)22/h2-4,11-13,17H,5-10H2,1H3,(H,24,25)
InChIKeyLVDCKUHYSGJACI-UHFFFAOYSA-N
XLogP4.71
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 54.71
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-[(4-methylpiperazin-1-yl)methyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617314
4-methyl-N-[[3-(3-piperidin-1-ylpropoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168618430
N-[[3-[(2,6-difluorophenoxy)methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617523
N-[[3-[(3-fluorophenoxy)methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617378
4-methyl-N-[[3-(oxolan-2-ylmethoxymethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617353
4-methyl-N-[[3-(2-phenylethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168618417
4-methyl-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616900
N-[[3-[[butyl(methyl)amino]methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617446
tert-butyl 4-[2-[3-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenoxy]ethyl]piperazine-1-carboxylate
CID 168618967
benzyl N'-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]carbamimidothioate
CID 168613585
4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617739
3-[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]propan-1-amine
CID 170867728

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 168619429) is 4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine is Cc1csc(NN=Cc2cccc(CCN3CCC(C(F)(F)F)CC3)c2)n1.
What is the InChIKey of 4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is LVDCKUHYSGJACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4S/c1-14-13-27-18(24-14)25-23-12-16-4-2-3-15(11-16)5-8-26-9-6-17(7-10-26)19(20,21)22/h2-4,11-13,17H,5-10H2,1H3,(H,24,25).
What are the key properties of 4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 396.48 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[3-[2-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168619429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).