N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

C17H12F2N2OS — CID 2671840

IUPACN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C17H12F2N2OS/c18-13-7-6-12(9-14(13)19)15-10-23-17(20-15)21-16(22)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,20,21,22)
InChIKeyPPJFLMQIJLARTE-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.27
Rot. Bonds4

About N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 2671840) has the molecular formula C17H12F2N2OS and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID2671840
Molecular FormulaC17H12F2N2OS
Molecular Weight330.36 g/mol
Exact Mass330.06
IUPAC NameN-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C17H12F2N2OS/c18-13-7-6-12(9-14(13)19)15-10-23-17(20-15)21-16(22)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,20,21,22)
InChIKeyPPJFLMQIJLARTE-UHFFFAOYSA-N
XLogP4.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide (CID 2671840) is N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is PPJFLMQIJLARTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2OS/c18-13-7-6-12(9-14(13)19)15-10-23-17(20-15)21-16(22)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2,(H,20,21,22).
What are the key properties of N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 330.36 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 2671840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).