2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

C8H9F2N3OS — CID 103514083

IUPAC2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESO=C(Nc1nc2c(s1)CNCC2)C(F)F
InChIInChI=1S/C8H9F2N3OS/c9-6(10)7(14)13-8-12-4-1-2-11-3-5(4)15-8/h6,11H,1-3H2,(H,12,13,14)
InChIKeyWTFGYXCKXDMKEG-UHFFFAOYSA-N
MW233.24 g/mol
LogP0.99
Rot. Bonds2

About 2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide

2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (PubChem CID 103514083) has the molecular formula C8H9F2N3OS and a molecular weight of 233.24 g/mol. Its IUPAC name is 2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
PubChem CID103514083
Molecular FormulaC8H9F2N3OS
Molecular Weight233.24 g/mol
Exact Mass233.04
IUPAC Name2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
SMILESO=C(Nc1nc2c(s1)CNCC2)C(F)F
InChIInChI=1S/C8H9F2N3OS/c9-6(10)7(14)13-8-12-4-1-2-11-3-5(4)15-8/h6,11H,1-3H2,(H,12,13,14)
InChIKeyWTFGYXCKXDMKEG-UHFFFAOYSA-N
XLogP0.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 43593384
CID 43593384
CID 3062333
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CID 3062334
CID 3062334
CID 3062336
CID 3062336
CID 3062337
CID 3062337
CID 3062338
CID 3062338
CID 3062353
CID 3062353
CID 3088603
CID 3088603
CID 13519687
CID 13519687
CID 2476228
CID 2476228
CID 28274574
CID 28274574
CID 71778987
CID 71778987

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide (CID 103514083) is 2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is O=C(Nc1nc2c(s1)CNCC2)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
The InChIKey is WTFGYXCKXDMKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3OS/c9-6(10)7(14)13-8-12-4-1-2-11-3-5(4)15-8/h6,11H,1-3H2,(H,12,13,14).
What are the key properties of 2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide?
2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide has a molecular weight of 233.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide is sourced from PubChem (CID 103514083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).