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

C17H20F3N3S — CID 120913071

IUPACN-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1
InChIInChI=1S/C17H20F3N3S/c1-21-14-3-2-8-23(9-14)10-15-11-24-16(22-15)12-4-6-13(7-5-12)17(18,19)20/h4-7,11,14,21H,2-3,8-10H2,1H3
InChIKeySEZBSEHVJHPDQG-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.01
Rot. Bonds4

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

N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine (PubChem CID 120913071) has the molecular formula C17H20F3N3S and a molecular weight of 355.43 g/mol. Its IUPAC name is N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine
PubChem CID120913071
Molecular FormulaC17H20F3N3S
Molecular Weight355.43 g/mol
Exact Mass355.13
IUPAC NameN-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1
InChIInChI=1S/C17H20F3N3S/c1-21-14-3-2-8-23(9-14)10-15-11-24-16(22-15)12-4-6-13(7-5-12)17(18,19)20/h4-7,11,14,21H,2-3,8-10H2,1H3
InChIKeySEZBSEHVJHPDQG-UHFFFAOYSA-N
XLogP4.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 56574565
(3S,4R)-4-hydroxy-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 135091194
N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 24628231
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 7164660
N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119918423
1-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 119918228
methyl 4-[4-[[(3R)-3-acetamidopiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzoate
CID 52509966
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
1-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylpiperidin-3-amine
CID 119918222
N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine (CID 120913071) is N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine is CNC1CCCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)C1.
What is the InChIKey of N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine?
The InChIKey is SEZBSEHVJHPDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3S/c1-21-14-3-2-8-23(9-14)10-15-11-24-16(22-15)12-4-6-13(7-5-12)17(18,19)20/h4-7,11,14,21H,2-3,8-10H2,1H3.
What are the key properties of N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine?
N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine has a molecular weight of 355.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 120913071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).