N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide

C17H16N2OS — CID 4095123

IUPACN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESCc1ccc2sc(NC(=O)Cc3ccccc3)nc2c1C
InChIInChI=1S/C17H16N2OS/c1-11-8-9-14-16(12(11)2)19-17(21-14)18-15(20)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,19,20)
InChIKeyNVDZPELCVBLVJL-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.09
Rot. Bonds3

About N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide (PubChem CID 4095123) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide
PubChem CID4095123
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESCc1ccc2sc(NC(=O)Cc3ccccc3)nc2c1C
InChIInChI=1S/C17H16N2OS/c1-11-8-9-14-16(12(11)2)19-17(21-14)18-15(20)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,19,20)
InChIKeyNVDZPELCVBLVJL-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide (CID 4095123) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide is Cc1ccc2sc(NC(=O)Cc3ccccc3)nc2c1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The InChIKey is NVDZPELCVBLVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-11-8-9-14-16(12(11)2)19-17(21-14)18-15(20)10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide?
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide has a molecular weight of 296.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 4095123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).