3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid

C11H14F2N2O4S2 — CID 167945305

IUPAC3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid
SMILESCC(CC(=O)O)(NS(=O)(=O)c1cnc(C2CC2)s1)C(F)F
InChIInChI=1S/C11H14F2N2O4S2/c1-11(10(12)13,4-7(16)17)15-21(18,19)8-5-14-9(20-8)6-2-3-6/h5-6,10,15H,2-4H2,1H3,(H,16,17)
InChIKeyGRLPYSMVSFYAHH-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.80
Rot. Bonds7

About 3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid

3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid (PubChem CID 167945305) has the molecular formula C11H14F2N2O4S2 and a molecular weight of 340.37 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid
PubChem CID167945305
Molecular FormulaC11H14F2N2O4S2
Molecular Weight340.37 g/mol
Exact Mass340.04
IUPAC Name3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid
SMILESCC(CC(=O)O)(NS(=O)(=O)c1cnc(C2CC2)s1)C(F)F
InChIInChI=1S/C11H14F2N2O4S2/c1-11(10(12)13,4-7(16)17)15-21(18,19)8-5-14-9(20-8)6-2-3-6/h5-6,10,15H,2-4H2,1H3,(H,16,17)
InChIKeyGRLPYSMVSFYAHH-UHFFFAOYSA-N
XLogP1.80
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-chloro-2-methylphenyl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid
CID 166288413
cis-(1R,3R)-3-[[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]methyl]-3-fluorocyclopentane-1-carboxylic acid
CID 166287988
2-cyclopropyl-1,3-thiazole-5-sulfonyl chloride
CID 122163904
3-[(2-chloro-5-methylphenyl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid
CID 167942914
4-[(2-ethyl-1,3-thiazol-5-yl)sulfonylamino]-4-methylpentanoic acid
CID 122068892
2-acetyl-N-tert-butyl-1,3-thiazole-5-sulfonamide
CID 137443476
[4-[5-[2-(tert-butylsulfamoyl)-4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid
CID 155100743
[4-[5-[4-(acetamidomethyl)-2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid
CID 155100811
2-[(2-cyclopropyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 115731158
2-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 167954953
propan-2-yl N-[4-[5-[2-(tert-butylsulfamoyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
CID 155115451
[4-[5-[2-(tert-butylsulfamoyl)-4-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid
CID 155100759

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid?
The IUPAC name of 3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid (CID 167945305) is 3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid.
What is the SMILES notation for 3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid?
The canonical SMILES for 3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid is CC(CC(=O)O)(NS(=O)(=O)c1cnc(C2CC2)s1)C(F)F.
What is the InChIKey of 3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid?
The InChIKey is GRLPYSMVSFYAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S2/c1-11(10(12)13,4-7(16)17)15-21(18,19)8-5-14-9(20-8)6-2-3-6/h5-6,10,15H,2-4H2,1H3,(H,16,17).
What are the key properties of 3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid?
3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid has a molecular weight of 340.37 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-1,3-thiazol-5-yl)sulfonylamino]-4,4-difluoro-3-methylbutanoic acid is sourced from PubChem (CID 167945305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).