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

C9H8F3N3O2S — CID 155092592

IUPAC4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1nc2c(s1)CNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C7H7N3S.C2HF3O2/c8-3-7-10-5-1-2-9-4-6(5)11-7;3-2(4,5)1(6)7/h9H,1-2,4H2;(H,6,7)
InChIKeyMLBUYNLFNRQZFV-UHFFFAOYSA-N
MW279.24 g/mol
LogP1.29
Rot. Bonds

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

4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 155092592) has the molecular formula C9H8F3N3O2S and a molecular weight of 279.24 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID155092592
Molecular FormulaC9H8F3N3O2S
Molecular Weight279.24 g/mol
Exact Mass279.03
IUPAC Name4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1nc2c(s1)CNCC2.O=C(O)C(F)(F)F
InChIInChI=1S/C7H7N3S.C2HF3O2/c8-3-7-10-5-1-2-9-4-6(5)11-7;3-2(4,5)1(6)7/h9H,1-2,4H2;(H,6,7)
InChIKeyMLBUYNLFNRQZFV-UHFFFAOYSA-N
XLogP1.29
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic Acid Hydrochloride
CID 68643955
4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile hydrochloride
CID 121552547
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
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
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
5-(fluoromethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
CID 118027097
2-Methoxy-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine trifluoroacetate
CID 122444692
N,N-dimethyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 155092596

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid (CID 155092592) is 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid is N#Cc1nc2c(s1)CNCC2.O=C(O)C(F)(F)F.
What is the InChIKey of 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is MLBUYNLFNRQZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S.C2HF3O2/c8-3-7-10-5-1-2-9-4-6(5)11-7;3-2(4,5)1(6)7/h9H,1-2,4H2;(H,6,7).
What are the key properties of 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid?
4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 279.24 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155092592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).