2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide

C17H17F2N3O2S — CID 142893131

IUPAC2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESC/C=C(\C=C/NC)c1csc(NC(=O)C(O)c2ccc(F)cc2F)n1
InChIInChI=1S/C17H17F2N3O2S/c1-3-10(6-7-20-2)14-9-25-17(21-14)22-16(24)15(23)12-5-4-11(18)8-13(12)19/h3-9,15,20,23H,1-2H3,(H,21,22,24)/b7-6-,10-3+
InChIKeyFOVVZIHPOJJLQH-FHKDDKIKSA-N
MW365.41 g/mol
LogP3.23
Rot. Bonds6

About 2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide

2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142893131) has the molecular formula C17H17F2N3O2S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID142893131
Molecular FormulaC17H17F2N3O2S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide
SMILESC/C=C(\C=C/NC)c1csc(NC(=O)C(O)c2ccc(F)cc2F)n1
InChIInChI=1S/C17H17F2N3O2S/c1-3-10(6-7-20-2)14-9-25-17(21-14)22-16(24)15(23)12-5-4-11(18)8-13(12)19/h3-9,15,20,23H,1-2H3,(H,21,22,24)/b7-6-,10-3+
InChIKeyFOVVZIHPOJJLQH-FHKDDKIKSA-N
XLogP3.23
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide (CID 142893131) is 2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide is C/C=C(\C=C/NC)c1csc(NC(=O)C(O)c2ccc(F)cc2F)n1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FOVVZIHPOJJLQH-FHKDDKIKSA-N. The full InChI is InChI=1S/C17H17F2N3O2S/c1-3-10(6-7-20-2)14-9-25-17(21-14)22-16(24)15(23)12-5-4-11(18)8-13(12)19/h3-9,15,20,23H,1-2H3,(H,21,22,24)/b7-6-,10-3+.
What are the key properties of 2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide?
2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 365.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-hydroxy-N-[4-[(1Z,3E)-1-(methylamino)penta-1,3-dien-3-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142893131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).