2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide

C20H17F4N5O4S — CID 166792553

IUPAC2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide
SMILESCC(C(N)=O)N(c1ccc(OC(F)F)nc1)c1nc(N)c(C(=O)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C20H17F4N5O4S/c1-9(17(26)31)29(11-4-7-13(27-8-11)33-19(23)24)20-28-16(25)15(34-20)14(30)10-2-5-12(6-3-10)32-18(21)22/h2-9,18-19H,25H2,1H3,(H2,26,31)
InChIKeyBBNVTIYWZZDASN-UHFFFAOYSA-N
MW499.45 g/mol
LogP3.57
Rot. Bonds10

About 2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide

2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide (PubChem CID 166792553) has the molecular formula C20H17F4N5O4S and a molecular weight of 499.45 g/mol. Its IUPAC name is 2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide
PubChem CID166792553
Molecular FormulaC20H17F4N5O4S
Molecular Weight499.45 g/mol
Exact Mass499.09
IUPAC Name2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide
SMILESCC(C(N)=O)N(c1ccc(OC(F)F)nc1)c1nc(N)c(C(=O)c2ccc(OC(F)F)cc2)s1
InChIInChI=1S/C20H17F4N5O4S/c1-9(17(26)31)29(11-4-7-13(27-8-11)33-19(23)24)20-28-16(25)15(34-20)14(30)10-2-5-12(6-3-10)32-18(21)22/h2-9,18-19H,25H2,1H3,(H2,26,31)
InChIKeyBBNVTIYWZZDASN-UHFFFAOYSA-N
XLogP3.57
TPSA133.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide?
The IUPAC name of 2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide (CID 166792553) is 2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide.
What is the SMILES notation for 2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide?
The canonical SMILES for 2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide is CC(C(N)=O)N(c1ccc(OC(F)F)nc1)c1nc(N)c(C(=O)c2ccc(OC(F)F)cc2)s1.
What is the InChIKey of 2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide?
The InChIKey is BBNVTIYWZZDASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N5O4S/c1-9(17(26)31)29(11-4-7-13(27-8-11)33-19(23)24)20-28-16(25)15(34-20)14(30)10-2-5-12(6-3-10)32-18(21)22/h2-9,18-19H,25H2,1H3,(H2,26,31).
What are the key properties of 2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide?
2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide has a molecular weight of 499.45 g/mol, XLogP of 3.57, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-[4-(difluoromethoxy)benzoyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide is sourced from PubChem (CID 166792553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).