2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid

C9H11F3N2O3S — CID 122444692

IUPAC2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCOc1nc2c(s1)CNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C7H10N2OS.C2HF3O2/c1-10-7-9-5-2-3-8-4-6(5)11-7;3-2(4,5)1(6)7/h8H,2-4H2,1H3;(H,6,7)
InChIKeyWLXLDTDREOYEFW-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.43
Rot. Bonds1

About 2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid

2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 122444692) has the molecular formula C9H11F3N2O3S and a molecular weight of 284.26 g/mol. Its IUPAC name is 2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID122444692
Molecular FormulaC9H11F3N2O3S
Molecular Weight284.26 g/mol
Exact Mass284.04
IUPAC Name2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
SMILESCOc1nc2c(s1)CNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C7H10N2OS.C2HF3O2/c1-10-7-9-5-2-3-8-4-6(5)11-7;3-2(4,5)1(6)7/h8H,2-4H2,1H3;(H,6,7)
InChIKeyWLXLDTDREOYEFW-UHFFFAOYSA-N
XLogP1.43
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic Acid Hydrochloride
CID 68643955
2-(trifluoromethyl)-4H,5H,6H,7H-(1,3)thiazolo(5,4-c)pyridine hydrochloride
CID 155822641
4-Bromo-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene;2,2,2-trifluoroacetic acid
CID 170912627
2-Bromo-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine trifluoroacetate
CID 17842573
Ethyl 2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetate;2,2,2-trifluoroacetic acid
CID 70248088
2-(Trifluoromethyl)-4,5,6,7-tetrahydrothiazolo[5,4-C]pyridine
CID 72212374
2-(Difluoromethyl)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 84771491
2-methoxy-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepine;2,2,2-trifluoroacetic acid
CID 89823538
5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
CID 118027097
Methyl 4,5,6,7-tetrahydrothiazolo[4,5-c]pyridine-2-carboxylate
CID 124190807
2-(2,2,2-Trifluoroethoxy)-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
CID 138670629
4-[2-(2,2,2-trifluoroethoxy)-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl]butan-1-amine
CID 138670633

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid (CID 122444692) is 2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid is COc1nc2c(s1)CNCC2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is WLXLDTDREOYEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS.C2HF3O2/c1-10-7-9-5-2-3-8-4-6(5)11-7;3-2(4,5)1(6)7/h8H,2-4H2,1H3;(H,6,7).
What are the key properties of 2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid?
2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 284.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122444692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).