7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

C9H13F2N3S — CID 139302159

IUPAC7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCC(C)N1Cc2sc(N)nc2C(F)(F)C1
InChIInChI=1S/C9H13F2N3S/c1-5(2)14-3-6-7(9(10,11)4-14)13-8(12)15-6/h5H,3-4H2,1-2H3,(H2,12,13)
InChIKeyDFKNOROKTIAWJJ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.04
Rot. Bonds1

About 7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine

7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (PubChem CID 139302159) has the molecular formula C9H13F2N3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.

Molecular Properties

Compound Name7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
PubChem CID139302159
Molecular FormulaC9H13F2N3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
SMILESCC(C)N1Cc2sc(N)nc2C(F)(F)C1
InChIInChI=1S/C9H13F2N3S/c1-5(2)14-3-6-7(9(10,11)4-14)13-8(12)15-6/h5H,3-4H2,1-2H3,(H2,12,13)
InChIKeyDFKNOROKTIAWJJ-UHFFFAOYSA-N
XLogP2.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The IUPAC name of 7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine (CID 139302159) is 7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine.
What is the SMILES notation for 7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The canonical SMILES for 7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is CC(C)N1Cc2sc(N)nc2C(F)(F)C1.
What is the InChIKey of 7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
The InChIKey is DFKNOROKTIAWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3S/c1-5(2)14-3-6-7(9(10,11)4-14)13-8(12)15-6/h5H,3-4H2,1-2H3,(H2,12,13).
What are the key properties of 7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine?
7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine has a molecular weight of 233.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-5-propan-2-yl-4,6-dihydro-[1,3]thiazolo[5,4-c]pyridin-2-amine is sourced from PubChem (CID 139302159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).