N-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide

C10H15F2N3O3S2 — CID 136542488

IUPACN-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N(CC(F)F)C(C)C)s1
InChIInChI=1S/C10H15F2N3O3S2/c1-6(2)15(5-8(11)12)20(17,18)9-4-13-10(19-9)14-7(3)16/h4,6,8H,5H2,1-3H3,(H,13,14,16)
InChIKeyQNPWBMLLRSJQCI-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.77
Rot. Bonds6

About N-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide

N-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 136542488) has the molecular formula C10H15F2N3O3S2 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID136542488
Molecular FormulaC10H15F2N3O3S2
Molecular Weight327.38 g/mol
Exact Mass327.05
IUPAC NameN-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N(CC(F)F)C(C)C)s1
InChIInChI=1S/C10H15F2N3O3S2/c1-6(2)15(5-8(11)12)20(17,18)9-4-13-10(19-9)14-7(3)16/h4,6,8H,5H2,1-3H3,(H,13,14,16)
InChIKeyQNPWBMLLRSJQCI-UHFFFAOYSA-N
XLogP1.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide (CID 136542488) is N-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)N(CC(F)F)C(C)C)s1.
What is the InChIKey of N-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QNPWBMLLRSJQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O3S2/c1-6(2)15(5-8(11)12)20(17,18)9-4-13-10(19-9)14-7(3)16/h4,6,8H,5H2,1-3H3,(H,13,14,16).
What are the key properties of N-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 327.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2,2-difluoroethyl(propan-2-yl)sulfamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 136542488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).