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

C20H16ClF3N4O3S — CID 166792632

IUPAC2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide
SMILESCC(C(N)=O)N(c1ccc(OC(F)F)c(F)c1)c1nc(N)c(C(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C20H16ClF3N4O3S/c1-9(18(26)30)28(12-6-7-14(13(22)8-12)31-19(23)24)20-27-17(25)16(32-20)15(29)10-2-4-11(21)5-3-10/h2-9,19H,25H2,1H3,(H2,26,30)
InChIKeyHRFUQLDSSNUGKC-UHFFFAOYSA-N
MW484.89 g/mol
LogP4.36
Rot. Bonds8

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

2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide (PubChem CID 166792632) has the molecular formula C20H16ClF3N4O3S and a molecular weight of 484.89 g/mol. Its IUPAC name is 2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide.

Molecular Properties

Compound Name2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide
PubChem CID166792632
Molecular FormulaC20H16ClF3N4O3S
Molecular Weight484.89 g/mol
Exact Mass484.06
IUPAC Name2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide
SMILESCC(C(N)=O)N(c1ccc(OC(F)F)c(F)c1)c1nc(N)c(C(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C20H16ClF3N4O3S/c1-9(18(26)30)28(12-6-7-14(13(22)8-12)31-19(23)24)20-27-17(25)16(32-20)15(29)10-2-4-11(21)5-3-10/h2-9,19H,25H2,1H3,(H2,26,30)
InChIKeyHRFUQLDSSNUGKC-UHFFFAOYSA-N
XLogP4.36
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.89
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(N-[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-chloroanilino)propanamide
CID 166792532
2-(N-[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]-3-chloro-4-fluoroanilino)propanamide
CID 166792703
2-(N-[4-amino-5-(4-hydroxybenzoyl)-1,3-thiazol-2-yl]-3,4-difluoroanilino)propanamide
CID 166792687
(2R)-2-[N-[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-3-chloro-4-(difluoromethoxy)anilino]propanamide
CID 175860231
2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide
CID 166792731
(2R)-2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-chloroanilino)propanamide
CID 175849782
(2R)-2-[N-[4-amino-5-(pyridine-4-carbonyl)-1,3-thiazol-2-yl]-3-fluoro-4-(trifluoromethoxy)anilino]propanamide
CID 175849723
2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 166792768
(2R)-2-[N-[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-3-chloro-4-(trifluoromethoxy)anilino]propanamide
CID 175860233
(2R)-2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide
CID 175849754
(2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide
CID 175849769
4-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-chloro-3-fluoroanilino)-1,3-thiazole-5-carbonyl]-N-(2-methoxyethyl)benzamide
CID 167436474

Frequently Asked Questions

What is the IUPAC name of 2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide?
The IUPAC name of 2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide (CID 166792632) is 2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide.
What is the SMILES notation for 2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide?
The canonical SMILES for 2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide is CC(C(N)=O)N(c1ccc(OC(F)F)c(F)c1)c1nc(N)c(C(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide?
The InChIKey is HRFUQLDSSNUGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O3S/c1-9(18(26)30)28(12-6-7-14(13(22)8-12)31-19(23)24)20-27-17(25)16(32-20)15(29)10-2-4-11(21)5-3-10/h2-9,19H,25H2,1H3,(H2,26,30).
What are the key properties of 2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide?
2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide has a molecular weight of 484.89 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide is sourced from PubChem (CID 166792632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).