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

C20H17F3N4O3S — CID 166792768

IUPAC2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
SMILESCC(C(N)=O)N(c1ccc(F)cc1)c1nc(N)c(C(=O)c2cccc(OC(F)F)c2)s1
InChIInChI=1S/C20H17F3N4O3S/c1-10(18(25)29)27(13-7-5-12(21)6-8-13)20-26-17(24)16(31-20)15(28)11-3-2-4-14(9-11)30-19(22)23/h2-10,19H,24H2,1H3,(H2,25,29)
InChIKeyRDTJTLVGVBSNAA-UHFFFAOYSA-N
MW450.44 g/mol
LogP3.71
Rot. Bonds8

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

2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide (PubChem CID 166792768) has the molecular formula C20H17F3N4O3S and a molecular weight of 450.44 g/mol. Its IUPAC name is 2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide.

Molecular Properties

Compound Name2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
PubChem CID166792768
Molecular FormulaC20H17F3N4O3S
Molecular Weight450.44 g/mol
Exact Mass450.10
IUPAC Name2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
SMILESCC(C(N)=O)N(c1ccc(F)cc1)c1nc(N)c(C(=O)c2cccc(OC(F)F)c2)s1
InChIInChI=1S/C20H17F3N4O3S/c1-10(18(25)29)27(13-7-5-12(21)6-8-13)20-26-17(24)16(31-20)15(28)11-3-2-4-14(9-11)30-19(22)23/h2-10,19H,24H2,1H3,(H2,25,29)
InChIKeyRDTJTLVGVBSNAA-UHFFFAOYSA-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

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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
(2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide
CID 175849769
(2S)-2-(N-[4-amino-5-(4-cyanobenzoyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 166792741
2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-3-fluoroanilino)propanamide
CID 166792585
2-[N-[4-amino-5-(4-chlorobenzoyl)-1,3-thiazol-2-yl]-4-(difluoromethoxy)-3-fluoroanilino]propanamide
CID 166792632
(2R)-2-(N-[4-amino-5-[4-chloro-3-(trifluoromethyl)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 175849752
2-(N-[4-amino-5-[6-(difluoromethyl)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 166792622
2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide
CID 166792500
(2R)-2-(N-[4-amino-5-(4-methylsulfonylbenzoyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 175849748
2-(N-[4-amino-5-[4-[2-(3-methoxy-N-methylanilino)-2-oxoethoxy]benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 170159988
(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
2-[4-[4-amino-2-(N-(1-amino-1-oxopropan-2-yl)-4-fluoroanilino)-1,3-thiazole-5-carbonyl]phenoxy]ethyl acetate
CID 166792590

Frequently Asked Questions

What is the IUPAC name of 2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide?
The IUPAC name of 2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide (CID 166792768) is 2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide.
What is the SMILES notation for 2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide?
The canonical SMILES for 2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide is CC(C(N)=O)N(c1ccc(F)cc1)c1nc(N)c(C(=O)c2cccc(OC(F)F)c2)s1.
What is the InChIKey of 2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide?
The InChIKey is RDTJTLVGVBSNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3S/c1-10(18(25)29)27(13-7-5-12(21)6-8-13)20-26-17(24)16(31-20)15(28)11-3-2-4-14(9-11)30-19(22)23/h2-10,19H,24H2,1H3,(H2,25,29).
What are the key properties of 2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide?
2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-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 2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide is sourced from PubChem (CID 166792768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).