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

C19H16F4N6O4S — CID 166792596

IUPAC2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-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)nc2)s1
InChIInChI=1S/C19H16F4N6O4S/c1-8(16(25)31)29(10-3-5-12(27-7-10)33-18(22)23)19-28-15(24)14(34-19)13(30)9-2-4-11(26-6-9)32-17(20)21/h2-8,17-18H,24H2,1H3,(H2,25,31)
InChIKeyGEIUOTKSGDTINF-UHFFFAOYSA-N
MW500.43 g/mol
LogP2.96
Rot. Bonds10

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

2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide (PubChem CID 166792596) has the molecular formula C19H16F4N6O4S and a molecular weight of 500.43 g/mol. Its IUPAC name is 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide
PubChem CID166792596
Molecular FormulaC19H16F4N6O4S
Molecular Weight500.43 g/mol
Exact Mass500.09
IUPAC Name2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-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)nc2)s1
InChIInChI=1S/C19H16F4N6O4S/c1-8(16(25)31)29(10-3-5-12(27-7-10)33-18(22)23)19-28-15(24)14(34-19)13(30)9-2-4-11(26-6-9)32-17(20)21/h2-8,17-18H,24H2,1H3,(H2,25,31)
InChIKeyGEIUOTKSGDTINF-UHFFFAOYSA-N
XLogP2.96
TPSA146.55 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide?
The IUPAC name of 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide (CID 166792596) is 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide.
What is the SMILES notation for 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide?
The canonical SMILES for 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-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)nc2)s1.
What is the InChIKey of 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide?
The InChIKey is GEIUOTKSGDTINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N6O4S/c1-8(16(25)31)29(10-3-5-12(27-7-10)33-18(22)23)19-28-15(24)14(34-19)13(30)9-2-4-11(26-6-9)32-17(20)21/h2-8,17-18H,24H2,1H3,(H2,25,31).
What are the key properties of 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide?
2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide has a molecular weight of 500.43 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-[6-(difluoromethoxy)pyridine-3-carbonyl]-1,3-thiazol-2-yl]-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide is sourced from PubChem (CID 166792596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).