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

C7H8F2N2S — CID 84771491

IUPAC2-(difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)c1nc2c(s1)CNCC2
InChIInChI=1S/C7H8F2N2S/c8-6(9)7-11-4-1-2-10-3-5(4)12-7/h6,10H,1-3H2
InChIKeyWAKCBZCVVXECGP-UHFFFAOYSA-N
MW190.22 g/mol
LogP1.73
Rot. Bonds1

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

2-(difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 84771491) has the molecular formula C7H8F2N2S and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
PubChem CID84771491
Molecular FormulaC7H8F2N2S
Molecular Weight190.22 g/mol
Exact Mass190.04
IUPAC Name2-(difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
SMILESFC(F)c1nc2c(s1)CNCC2
InChIInChI=1S/C7H8F2N2S/c8-6(9)7-11-4-1-2-10-3-5(4)12-7/h6,10H,1-3H2
InChIKeyWAKCBZCVVXECGP-UHFFFAOYSA-N
XLogP1.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4H,5H,6H,7H-(1,3)thiazolo(5,4-c)pyridine
CID 21941992
4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 13519687
4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine dihydrochloride
CID 75481703
4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile hydrochloride
CID 121552547
2-bromo-4H,5H,6H,7H-(1,3)thiazolo(5,4-c)pyridine dihydrobromide
CID 121553402
2-ethyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine dihydrochloride
CID 132354072
2-methyl-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine dihydrobromide
CID 138040785
4H,5H,6H,7H-[1,3]thiazolo[4,5-c]pyridine dihydrochloride
CID 146160497
2-methyl-4H,5H,6H,7H-[1,3]thiazolo[4,5-c]pyridine dihydrochloride
CID 155822244
2-(trifluoromethyl)-4H,5H,6H,7H-(1,3)thiazolo(5,4-c)pyridine hydrochloride
CID 155822641
2-Bromo-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine
CID 17750405
2-Bromo-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine trifluoroacetate
CID 17842573

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-(difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine (CID 84771491) is 2-(difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-(difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is FC(F)c1nc2c(s1)CNCC2.
What is the InChIKey of 2-(difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is WAKCBZCVVXECGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2S/c8-6(9)7-11-4-1-2-10-3-5(4)12-7/h6,10H,1-3H2.
What are the key properties of 2-(difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine?
2-(difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 190.22 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 84771491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).