2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride

C7H8ClF3N2S — CID 67240464

IUPAC2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride
SMILESCl.FC(F)(F)c1nc2c(s1)CCNC2
InChIInChI=1S/C7H7F3N2S.ClH/c8-7(9,10)6-12-4-3-11-2-1-5(4)13-6;/h11H,1-3H2;1H
InChIKeyIRLSPTRDVNHJCI-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.23
Rot. Bonds

About 2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride

2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride (PubChem CID 67240464) has the molecular formula C7H8ClF3N2S and a molecular weight of 244.67 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride
PubChem CID67240464
Molecular FormulaC7H8ClF3N2S
Molecular Weight244.67 g/mol
Exact Mass244.00
IUPAC Name2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride
SMILESCl.FC(F)(F)c1nc2c(s1)CCNC2
InChIInChI=1S/C7H7F3N2S.ClH/c8-7(9,10)6-12-4-3-11-2-1-5(4)13-6;/h11H,1-3H2;1H
InChIKeyIRLSPTRDVNHJCI-UHFFFAOYSA-N
XLogP2.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride?
The IUPAC name of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride (CID 67240464) is 2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride.
What is the SMILES notation for 2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride?
The canonical SMILES for 2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride is Cl.FC(F)(F)c1nc2c(s1)CCNC2.
What is the InChIKey of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride?
The InChIKey is IRLSPTRDVNHJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2S.ClH/c8-7(9,10)6-12-4-3-11-2-1-5(4)13-6;/h11H,1-3H2;1H.
What are the key properties of 2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride?
2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride has a molecular weight of 244.67 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;hydrochloride is sourced from PubChem (CID 67240464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).