1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine

C10H14F3N3S — CID 120834832

IUPAC1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine
SMILESNC1CCCN(Cc2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)9-15-4-8(17-9)6-16-3-1-2-7(14)5-16/h4,7H,1-3,5-6,14H2
InChIKeyDKFHXCZPZZMLIU-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.09
Rot. Bonds2

About 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine

1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine (PubChem CID 120834832) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine
PubChem CID120834832
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine
SMILESNC1CCCN(Cc2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)9-15-4-8(17-9)6-16-3-1-2-7(14)5-16/h4,7H,1-3,5-6,14H2
InChIKeyDKFHXCZPZZMLIU-UHFFFAOYSA-N
XLogP2.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-2-methylpiperidine
CID 4616493
1-[(2-Methyl-1,3-thiazol-5-yl)methyl]piperazine
CID 52319808
n-(Thiazol-5-ylmethyl)cyclopentanamine
CID 62759023
N'-[(2-fluoro-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 70457961
N'-[[2-(2,2,2-trifluoroethylsulfanyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70457990
N'-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458500
N'-[[2-(trifluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458519
N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458538
N'-[[2-(difluoromethylsulfanyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458568
N'-[[2-(trifluoromethylsulfanyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458571
1-[2,2,2-Trifluoro-1-(1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 117721482
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine?
The IUPAC name of 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine (CID 120834832) is 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine.
What is the SMILES notation for 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine?
The canonical SMILES for 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine is NC1CCCN(Cc2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine?
The InChIKey is DKFHXCZPZZMLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c11-10(12,13)9-15-4-8(17-9)6-16-3-1-2-7(14)5-16/h4,7H,1-3,5-6,14H2.
What are the key properties of 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine?
1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine has a molecular weight of 265.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 120834832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).