N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide

C16H12F2N2OS — CID 2151168

IUPACN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
SMILESCn1/c(=N/C(=O)Cc2ccccc2)sc2cc(F)cc(F)c21
InChIInChI=1S/C16H12F2N2OS/c1-20-15-12(18)8-11(17)9-13(15)22-16(20)19-14(21)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/b19-16-
InChIKeyVLEPFVIFVHEZDI-MNDPQUGUSA-N
MW318.35 g/mol
LogP3.19
Rot. Bonds2

About N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide

N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide (PubChem CID 2151168) has the molecular formula C16H12F2N2OS and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
PubChem CID2151168
Molecular FormulaC16H12F2N2OS
Molecular Weight318.35 g/mol
Exact Mass318.06
IUPAC NameN-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide
SMILESCn1/c(=N/C(=O)Cc2ccccc2)sc2cc(F)cc(F)c21
InChIInChI=1S/C16H12F2N2OS/c1-20-15-12(18)8-11(17)9-13(15)22-16(20)19-14(21)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/b19-16-
InChIKeyVLEPFVIFVHEZDI-MNDPQUGUSA-N
XLogP3.19
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
The IUPAC name of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide (CID 2151168) is N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide.
What is the SMILES notation for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
The canonical SMILES for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide is Cn1/c(=N/C(=O)Cc2ccccc2)sc2cc(F)cc(F)c21.
What is the InChIKey of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
The InChIKey is VLEPFVIFVHEZDI-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H12F2N2OS/c1-20-15-12(18)8-11(17)9-13(15)22-16(20)19-14(21)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3/b19-16-.
What are the key properties of N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide?
N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide has a molecular weight of 318.35 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-3-methyl-1,3-benzothiazol-2-ylidene)-2-phenylacetamide is sourced from PubChem (CID 2151168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).