N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide

C18H13F3N2OS — CID 46942841

IUPACN-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NC(c1ccc(F)c(F)c1)c1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C18H13F3N2OS/c1-10(24)22-17(12-5-6-14(20)15(21)8-12)18-23-16(9-25-18)11-3-2-4-13(19)7-11/h2-9,17H,1H3,(H,22,24)
InChIKeyDBHIWNXUNICQOD-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.45
Rot. Bonds4

About N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide

N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 46942841) has the molecular formula C18H13F3N2OS and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID46942841
Molecular FormulaC18H13F3N2OS
Molecular Weight362.38 g/mol
Exact Mass362.07
IUPAC NameN-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCC(=O)NC(c1ccc(F)c(F)c1)c1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C18H13F3N2OS/c1-10(24)22-17(12-5-6-14(20)15(21)8-12)18-23-16(9-25-18)11-3-2-4-13(19)7-11/h2-9,17H,1H3,(H,22,24)
InChIKeyDBHIWNXUNICQOD-UHFFFAOYSA-N
XLogP4.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide (CID 46942841) is N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide is CC(=O)NC(c1ccc(F)c(F)c1)c1nc(-c2cccc(F)c2)cs1.
What is the InChIKey of N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is DBHIWNXUNICQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2OS/c1-10(24)22-17(12-5-6-14(20)15(21)8-12)18-23-16(9-25-18)11-3-2-4-13(19)7-11/h2-9,17H,1H3,(H,22,24).
What are the key properties of N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide?
N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 362.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 46942841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).