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

C19H17F2N5O2S — CID 166792600

IUPAC2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethyl)-3-pyridinyl]amino]propanamide
SMILESCC(C(N)=O)N(c1ccc(C(F)F)nc1)c1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C19H17F2N5O2S/c1-10(18(23)28)26(12-7-8-13(16(20)21)24-9-12)19-25-17(22)15(29-19)14(27)11-5-3-2-4-6-11/h2-10,16H,22H2,1H3,(H2,23,28)
InChIKeyHTRMLAWHKDUWQY-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.30
Rot. Bonds7

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

2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethyl)-3-pyridinyl]amino]propanamide (PubChem CID 166792600) has the molecular formula C19H17F2N5O2S and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethyl)-3-pyridinyl]amino]propanamide.

Molecular Properties

Compound Name2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethyl)-3-pyridinyl]amino]propanamide
PubChem CID166792600
Molecular FormulaC19H17F2N5O2S
Molecular Weight417.44 g/mol
Exact Mass417.11
IUPAC Name2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethyl)-3-pyridinyl]amino]propanamide
SMILESCC(C(N)=O)N(c1ccc(C(F)F)nc1)c1nc(N)c(C(=O)c2ccccc2)s1
InChIInChI=1S/C19H17F2N5O2S/c1-10(18(23)28)26(12-7-8-13(16(20)21)24-9-12)19-25-17(22)15(29-19)14(27)11-5-3-2-4-6-11/h2-10,16H,22H2,1H3,(H2,23,28)
InChIKeyHTRMLAWHKDUWQY-UHFFFAOYSA-N
XLogP3.30
TPSA115.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethyl)-3-pyridinyl]amino]propanamide?
The IUPAC name of 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethyl)-3-pyridinyl]amino]propanamide (CID 166792600) is 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethyl)-3-pyridinyl]amino]propanamide.
What is the SMILES notation for 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethyl)-3-pyridinyl]amino]propanamide?
The canonical SMILES for 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethyl)-3-pyridinyl]amino]propanamide is CC(C(N)=O)N(c1ccc(C(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-(difluoromethyl)-3-pyridinyl]amino]propanamide?
The InChIKey is HTRMLAWHKDUWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2S/c1-10(18(23)28)26(12-7-8-13(16(20)21)24-9-12)19-25-17(22)15(29-19)14(27)11-5-3-2-4-6-11/h2-10,16H,22H2,1H3,(H2,23,28).
What are the key properties of 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethyl)-3-pyridinyl]amino]propanamide?
2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethyl)-3-pyridinyl]amino]propanamide has a molecular weight of 417.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5-benzoyl-1,3-thiazol-2-yl)-[6-(difluoromethyl)-3-pyridinyl]amino]propanamide is sourced from PubChem (CID 166792600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).