(2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide

C20H17F3N4O3S — CID 175849769

IUPAC(2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide
SMILESC[C@H](C(N)=O)N(c1nc(N)c(C(=O)c2ccccc2)s1)c1ccc(OC(F)F)cc1F
InChIInChI=1S/C20H17F3N4O3S/c1-10(18(25)29)27(14-8-7-12(9-13(14)21)30-19(22)23)20-26-17(24)16(31-20)15(28)11-5-3-2-4-6-11/h2-10,19H,24H2,1H3,(H2,25,29)/t10-/m1/s1
InChIKeyNGAUYKDNJNSCRK-SNVBAGLBSA-N
MW450.44 g/mol
LogP3.71
Rot. Bonds8

About (2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide

(2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide (PubChem CID 175849769) has the molecular formula C20H17F3N4O3S and a molecular weight of 450.44 g/mol. Its IUPAC name is (2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide.

Molecular Properties

Compound Name(2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide
PubChem CID175849769
Molecular FormulaC20H17F3N4O3S
Molecular Weight450.44 g/mol
Exact Mass450.10
IUPAC Name(2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide
SMILESC[C@H](C(N)=O)N(c1nc(N)c(C(=O)c2ccccc2)s1)c1ccc(OC(F)F)cc1F
InChIInChI=1S/C20H17F3N4O3S/c1-10(18(25)29)27(14-8-7-12(9-13(14)21)30-19(22)23)20-26-17(24)16(31-20)15(28)11-5-3-2-4-6-11/h2-10,19H,24H2,1H3,(H2,25,29)/t10-/m1/s1
InChIKeyNGAUYKDNJNSCRK-SNVBAGLBSA-N
XLogP3.71
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide?
The IUPAC name of (2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide (CID 175849769) is (2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide.
What is the SMILES notation for (2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide?
The canonical SMILES for (2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide is C[C@H](C(N)=O)N(c1nc(N)c(C(=O)c2ccccc2)s1)c1ccc(OC(F)F)cc1F.
What is the InChIKey of (2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide?
The InChIKey is NGAUYKDNJNSCRK-SNVBAGLBSA-N. The full InChI is InChI=1S/C20H17F3N4O3S/c1-10(18(25)29)27(14-8-7-12(9-13(14)21)30-19(22)23)20-26-17(24)16(31-20)15(28)11-5-3-2-4-6-11/h2-10,19H,24H2,1H3,(H2,25,29)/t10-/m1/s1.
What are the key properties of (2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide?
(2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide has a molecular weight of 450.44 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide is sourced from PubChem (CID 175849769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).