2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole

C10H12ClF3N2S — CID 79764598

IUPAC2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C10H12ClF3N2S/c11-9-15-5-8(17-9)6-16-3-1-7(2-4-16)10(12,13)14/h5,7H,1-4,6H2
InChIKeyJWNBABZDMOYTHD-UHFFFAOYSA-N
MW284.73 g/mol
LogP3.57
Rot. Bonds2

About 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole

2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 79764598) has the molecular formula C10H12ClF3N2S and a molecular weight of 284.73 g/mol. Its IUPAC name is 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID79764598
Molecular FormulaC10H12ClF3N2S
Molecular Weight284.73 g/mol
Exact Mass284.04
IUPAC Name2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)C1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C10H12ClF3N2S/c11-9-15-5-8(17-9)6-16-3-1-7(2-4-16)10(12,13)14/h5,7H,1-4,6H2
InChIKeyJWNBABZDMOYTHD-UHFFFAOYSA-N
XLogP3.57
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.73
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 163343642
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine
CID 103054322
N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557064
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 71844487
2-chloro-5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazole
CID 79764716
N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107557061
2-chloro-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazole
CID 79765489
trimethyl-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]silane
CID 103438463
(3S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-3-amine
CID 86318021
1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
CID 120834528
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961053
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole (CID 79764598) is 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole is FC(F)(F)C1CCN(Cc2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is JWNBABZDMOYTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2S/c11-9-15-5-8(17-9)6-16-3-1-7(2-4-16)10(12,13)14/h5,7H,1-4,6H2.
What are the key properties of 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole?
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 284.73 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 79764598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).