N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine

C13H20F3N3S — CID 120835564

IUPACN-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
SMILESCCCN(Cc1cnc(C(F)(F)F)s1)C1CCNCC1
InChIInChI=1S/C13H20F3N3S/c1-2-7-19(10-3-5-17-6-4-10)9-11-8-18-12(20-11)13(14,15)16/h8,10,17H,2-7,9H2,1H3
InChIKeyGHEABIZMWPDFRC-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.13
Rot. Bonds5

About N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine

N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine (PubChem CID 120835564) has the molecular formula C13H20F3N3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
PubChem CID120835564
Molecular FormulaC13H20F3N3S
Molecular Weight307.38 g/mol
Exact Mass307.13
IUPAC NameN-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
SMILESCCCN(Cc1cnc(C(F)(F)F)s1)C1CCNCC1
InChIInChI=1S/C13H20F3N3S/c1-2-7-19(10-3-5-17-6-4-10)9-11-8-18-12(20-11)13(14,15)16/h8,10,17H,2-7,9H2,1H3
InChIKeyGHEABIZMWPDFRC-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.13
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
1-{4-[(1,3-Thiazol-5-ylmethyl)amino]piperidin-1-yl}ethan-1-one
CID 62758882
N-[(1,3-thiazol-5-yl)methyl]cyclopentanamine hydrochloride
CID 167721682
2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60776622
N-[(1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 62759023
N'-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458500
N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458538
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
2-(4,4-Difluoropiperidin-1-yl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 118297235
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 118297278

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine?
The IUPAC name of N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine (CID 120835564) is N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine?
The canonical SMILES for N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine is CCCN(Cc1cnc(C(F)(F)F)s1)C1CCNCC1.
What is the InChIKey of N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine?
The InChIKey is GHEABIZMWPDFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S/c1-2-7-19(10-3-5-17-6-4-10)9-11-8-18-12(20-11)13(14,15)16/h8,10,17H,2-7,9H2,1H3.
What are the key properties of N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine?
N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine has a molecular weight of 307.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 120835564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).