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

C19H17F2N5O3S — CID 166792607

IUPAC2-[(4-amino-5-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)c2ccccc2)s1
InChIInChI=1S/C19H17F2N5O3S/c1-10(17(23)28)26(12-7-8-13(24-9-12)29-18(20)21)19-25-16(22)15(30-19)14(27)11-5-3-2-4-6-11/h2-10,18H,22H2,1H3,(H2,23,28)
InChIKeyMKQBCGQVHYXTAJ-UHFFFAOYSA-N
MW433.44 g/mol
LogP2.96
Rot. Bonds8

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

2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide (PubChem CID 166792607) has the molecular formula C19H17F2N5O3S and a molecular weight of 433.44 g/mol. Its IUPAC name is 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide
PubChem CID166792607
Molecular FormulaC19H17F2N5O3S
Molecular Weight433.44 g/mol
Exact Mass433.10
IUPAC Name2-[(4-amino-5-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)c2ccccc2)s1
InChIInChI=1S/C19H17F2N5O3S/c1-10(17(23)28)26(12-7-8-13(24-9-12)29-18(20)21)19-25-16(22)15(30-19)14(27)11-5-3-2-4-6-11/h2-10,18H,22H2,1H3,(H2,23,28)
InChIKeyMKQBCGQVHYXTAJ-UHFFFAOYSA-N
XLogP2.96
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide?
The IUPAC name of 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide (CID 166792607) is 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide.
What is the SMILES notation for 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide?
The canonical SMILES for 2-[(4-amino-5-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)c2ccccc2)s1.
What is the InChIKey of 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide?
The InChIKey is MKQBCGQVHYXTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O3S/c1-10(17(23)28)26(12-7-8-13(24-9-12)29-18(20)21)19-25-16(22)15(30-19)14(27)11-5-3-2-4-6-11/h2-10,18H,22H2,1H3,(H2,23,28).
What are the key properties of 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide?
2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide has a molecular weight of 433.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethoxy)-3-pyridinyl]amino]propanamide is sourced from PubChem (CID 166792607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).