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

C10H12F3N3O3S — CID 158704843

IUPAC4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1NCCc2nc(C(N)=O)sc21.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11N3OS.C2HF3O2/c1-4-6-5(2-3-10-4)11-8(13-6)7(9)12;3-2(4,5)1(6)7/h4,10H,2-3H2,1H3,(H2,9,12);(H,6,7)
InChIKeyIHZGSZKJYRQTJG-UHFFFAOYSA-N
MW311.29 g/mol
LogP1.08
Rot. Bonds1

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

4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 158704843) has the molecular formula C10H12F3N3O3S and a molecular weight of 311.29 g/mol. Its IUPAC name is 4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID158704843
Molecular FormulaC10H12F3N3O3S
Molecular Weight311.29 g/mol
Exact Mass311.06
IUPAC Name4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCC1NCCc2nc(C(N)=O)sc21.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11N3OS.C2HF3O2/c1-4-6-5(2-3-10-4)11-8(13-6)7(9)12;3-2(4,5)1(6)7/h4,10H,2-3H2,1H3,(H2,9,12);(H,6,7)
InChIKeyIHZGSZKJYRQTJG-UHFFFAOYSA-N
XLogP1.08
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 51.08
H-Bond Donors ≤ 53
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
methyl 4H,5H,6H,7H-(1,3)thiazolo(4,5-c)pyridine-2-carboxylate hydrochloride
CID 137951986
4,5,6,7-Tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid;hydrochloride
CID 178295120
2-Bromo-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine trifluoroacetate
CID 17842573
(+/-)-cis-N-[(5-methyl-4,5,6,7-tetrahydrothiazolo-[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine trifluoroacetate
CID 18442855
(+/-)-trans-N-[(5-methyl-4,5,6,7-tetrahydrothiazolo-[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine trifluoroacetate
CID 18442875
N-[(1S,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67188729
N-[(1S,2S)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67190597
N-(2-aminocyclohexyl)-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 68451975
N-[(1R,2S)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid;hydrochloride
CID 68452193
N-[(1R,2R)-2-aminocyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid;hydrochloride
CID 69252539
[3-[(3R)-3-fluoropyrrolidin-1-yl]-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-3-oxopropyl]carbamic acid
CID 69483710

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 158704843) is 4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is CC1NCCc2nc(C(N)=O)sc21.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is IHZGSZKJYRQTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS.C2HF3O2/c1-4-6-5(2-3-10-4)11-8(13-6)7(9)12;3-2(4,5)1(6)7/h4,10H,2-3H2,1H3,(H2,9,12);(H,6,7).
What are the key properties of 4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 311.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158704843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).