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

C7H9F2N3O2S2 — CID 43593411

IUPAC1,1-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CNCC2)C(F)F
InChIInChI=1S/C7H9F2N3O2S2/c8-6(9)16(13,14)12-7-11-4-1-2-10-3-5(4)15-7/h6,10H,1-3H2,(H,11,12)
InChIKeyWDRNXDSNRCWJAH-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.75
Rot. Bonds3

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

1,1-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide (PubChem CID 43593411) has the molecular formula C7H9F2N3O2S2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 1,1-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
PubChem CID43593411
Molecular FormulaC7H9F2N3O2S2
Molecular Weight269.30 g/mol
Exact Mass269.01
IUPAC Name1,1-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide
SMILESO=S(=O)(Nc1nc2c(s1)CNCC2)C(F)F
InChIInChI=1S/C7H9F2N3O2S2/c8-6(9)16(13,14)12-7-11-4-1-2-10-3-5(4)15-7/h6,10H,1-3H2,(H,11,12)
InChIKeyWDRNXDSNRCWJAH-UHFFFAOYSA-N
XLogP0.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide (CID 43593411) is 1,1-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide is O=S(=O)(Nc1nc2c(s1)CNCC2)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
The InChIKey is WDRNXDSNRCWJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2S2/c8-6(9)16(13,14)12-7-11-4-1-2-10-3-5(4)15-7/h6,10H,1-3H2,(H,11,12).
What are the key properties of 1,1-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide?
1,1-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide has a molecular weight of 269.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanesulfonamide is sourced from PubChem (CID 43593411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).