N-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide

C18H15F2N3O2S — CID 2095649

IUPACN-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(F)cc2F)C2=NC(=O)CS2)cc1
InChIInChI=1S/C18H15F2N3O2S/c1-11-2-5-13(6-3-11)23(18-22-17(25)10-26-18)9-16(24)21-15-7-4-12(19)8-14(15)20/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyLRRBWKVRBOVDHR-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.35
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide

N-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide (PubChem CID 2095649) has the molecular formula C18H15F2N3O2S and a molecular weight of 375.40 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide
PubChem CID2095649
Molecular FormulaC18H15F2N3O2S
Molecular Weight375.40 g/mol
Exact Mass375.09
IUPAC NameN-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(F)cc2F)C2=NC(=O)CS2)cc1
InChIInChI=1S/C18H15F2N3O2S/c1-11-2-5-13(6-3-11)23(18-22-17(25)10-26-18)9-16(24)21-15-7-4-12(19)8-14(15)20/h2-8H,9-10H2,1H3,(H,21,24)
InChIKeyLRRBWKVRBOVDHR-UHFFFAOYSA-N
XLogP3.35
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide (CID 2095649) is N-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide is Cc1ccc(N(CC(=O)Nc2ccc(F)cc2F)C2=NC(=O)CS2)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide?
The InChIKey is LRRBWKVRBOVDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2S/c1-11-2-5-13(6-3-11)23(18-22-17(25)10-26-18)9-16(24)21-15-7-4-12(19)8-14(15)20/h2-8H,9-10H2,1H3,(H,21,24).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide?
N-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide has a molecular weight of 375.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-methyl-N-(4-oxo-1,3-thiazol-2-yl)anilino)acetamide is sourced from PubChem (CID 2095649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).