N-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine

C15H17F3N4S — CID 144624517

IUPACN-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine
SMILESCC1=CC(NC2=CC(C(F)(F)F)CC=N2)NC(c2cncs2)C1
InChIInChI=1S/C15H17F3N4S/c1-9-4-11(12-7-19-8-23-12)21-14(5-9)22-13-6-10(2-3-20-13)15(16,17)18/h3,5-8,10-11,14,21-22H,2,4H2,1H3
InChIKeyAMZMOCUYSBIIIX-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.53
Rot. Bonds3

About N-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine

N-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine (PubChem CID 144624517) has the molecular formula C15H17F3N4S and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine.

Molecular Properties

Compound NameN-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine
PubChem CID144624517
Molecular FormulaC15H17F3N4S
Molecular Weight342.39 g/mol
Exact Mass342.11
IUPAC NameN-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine
SMILESCC1=CC(NC2=CC(C(F)(F)F)CC=N2)NC(c2cncs2)C1
InChIInChI=1S/C15H17F3N4S/c1-9-4-11(12-7-19-8-23-12)21-14(5-9)22-13-6-10(2-3-20-13)15(16,17)18/h3,5-8,10-11,14,21-22H,2,4H2,1H3
InChIKeyAMZMOCUYSBIIIX-UHFFFAOYSA-N
XLogP3.53
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[2-[(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-yl]-1,3-thiazol-5-yl]propan-1-amine
CID 130390607
N,3-dimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106783035
N-ethyl-3-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106783036
2-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106783231
2-(cyclohexen-1-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783679
2-(cyclohexen-1-yl)-N-ethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106783680
N-[2-(cyclohexen-1-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783681
2-ethyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106785308
N,2-diethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 106785640
4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 108046572
5,5,5-trifluoro-N-propyl-1-(1,3-thiazol-5-yl)pentan-1-amine
CID 113327158
3-methyl-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]butan-1-amine
CID 113876693

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine?
The IUPAC name of N-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine (CID 144624517) is N-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine.
What is the SMILES notation for N-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine?
The canonical SMILES for N-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine is CC1=CC(NC2=CC(C(F)(F)F)CC=N2)NC(c2cncs2)C1.
What is the InChIKey of N-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine?
The InChIKey is AMZMOCUYSBIIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4S/c1-9-4-11(12-7-19-8-23-12)21-14(5-9)22-13-6-10(2-3-20-13)15(16,17)18/h3,5-8,10-11,14,21-22H,2,4H2,1H3.
What are the key properties of N-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine?
N-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine has a molecular weight of 342.39 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(1,3-thiazol-5-yl)-1,2,3,6-tetrahydropyridin-6-yl]-4-(trifluoromethyl)-3,4-dihydropyridin-6-amine is sourced from PubChem (CID 144624517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).