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

C20H17ClF2N4O3S — CID 166792500

IUPAC2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide
SMILESCC(C(N)=O)N(c1nc(N)c(C(=O)c2ccccc2)s1)c1ccc(OC(F)F)cc1Cl
InChIInChI=1S/C20H17ClF2N4O3S/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)
InChIKeyKLLHXXZZKLRVRJ-UHFFFAOYSA-N
MW466.90 g/mol
LogP4.22
Rot. Bonds8

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

2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide (PubChem CID 166792500) has the molecular formula C20H17ClF2N4O3S and a molecular weight of 466.90 g/mol. Its IUPAC name is 2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide.

Molecular Properties

Compound Name2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide
PubChem CID166792500
Molecular FormulaC20H17ClF2N4O3S
Molecular Weight466.90 g/mol
Exact Mass466.07
IUPAC Name2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide
SMILESCC(C(N)=O)N(c1nc(N)c(C(=O)c2ccccc2)s1)c1ccc(OC(F)F)cc1Cl
InChIInChI=1S/C20H17ClF2N4O3S/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)
InChIKeyKLLHXXZZKLRVRJ-UHFFFAOYSA-N
XLogP4.22
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-4-(difluoromethoxy)-2-fluoroanilino]propanamide
CID 175849769
(2R)-2-(N-[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-chloroanilino)propanamide
CID 166792532
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
2-(N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-methylanilino)propanamide
CID 166792531
2-(N-[4-amino-5-[3-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
CID 166792768
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-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-(2,2-difluoro-1,3-benzodioxol-5-yl)amino]propanamide
CID 175849754
2-(N-[4-amino-5-(4-methoxybenzoyl)-1,3-thiazol-2-yl]-3-chloro-4-fluoroanilino)propanamide
CID 166792703
(2R)-2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-(6-fluoro-3-pyridinyl)amino]propanamide
CID 175849886
(2R)-2-[N-[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-3-chloro-4-(difluoromethoxy)anilino]propanamide
CID 175860231

Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide?
The IUPAC name of 2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide (CID 166792500) is 2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide.
What is the SMILES notation for 2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide?
The canonical SMILES for 2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide is CC(C(N)=O)N(c1nc(N)c(C(=O)c2ccccc2)s1)c1ccc(OC(F)F)cc1Cl.
What is the InChIKey of 2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide?
The InChIKey is KLLHXXZZKLRVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N4O3S/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).
What are the key properties of 2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide?
2-[N-(4-amino-5-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide has a molecular weight of 466.90 g/mol, XLogP of 4.22, 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-benzoyl-1,3-thiazol-2-yl)-2-chloro-4-(difluoromethoxy)anilino]propanamide is sourced from PubChem (CID 166792500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).