2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide

C12H16F2N2O2S — CID 75387953

IUPAC2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)C(F)(F)C2(O)CCC2)cs1
InChIInChI=1S/C12H16F2N2O2S/c1-8-16-9(7-19-8)3-6-15-10(17)12(13,14)11(18)4-2-5-11/h7,18H,2-6H2,1H3,(H,15,17)
InChIKeyGDPXXRONFZXZPH-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.66
Rot. Bonds5

About 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide

2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 75387953) has the molecular formula C12H16F2N2O2S and a molecular weight of 290.33 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID75387953
Molecular FormulaC12H16F2N2O2S
Molecular Weight290.33 g/mol
Exact Mass290.09
IUPAC Name2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)C(F)(F)C2(O)CCC2)cs1
InChIInChI=1S/C12H16F2N2O2S/c1-8-16-9(7-19-8)3-6-15-10(17)12(13,14)11(18)4-2-5-11/h7,18H,2-6H2,1H3,(H,15,17)
InChIKeyGDPXXRONFZXZPH-UHFFFAOYSA-N
XLogP1.66
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide (CID 75387953) is 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide is Cc1nc(CCNC(=O)C(F)(F)C2(O)CCC2)cs1.
What is the InChIKey of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is GDPXXRONFZXZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2S/c1-8-16-9(7-19-8)3-6-15-10(17)12(13,14)11(18)4-2-5-11/h7,18H,2-6H2,1H3,(H,15,17).
What are the key properties of 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide?
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 290.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 75387953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).