N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide

C16H13ClN2OS — CID 851474

IUPACN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESCc1cc2sc(NC(=O)Cc3ccccc3)nc2cc1Cl
InChIInChI=1S/C16H13ClN2OS/c1-10-7-14-13(9-12(10)17)18-16(21-14)19-15(20)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyDYHAMRNAHTWYKY-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.44
Rot. Bonds3

About N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide

N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide (PubChem CID 851474) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide
PubChem CID851474
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide
SMILESCc1cc2sc(NC(=O)Cc3ccccc3)nc2cc1Cl
InChIInChI=1S/C16H13ClN2OS/c1-10-7-14-13(9-12(10)17)18-16(21-14)19-15(20)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyDYHAMRNAHTWYKY-UHFFFAOYSA-N
XLogP4.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide (CID 851474) is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The canonical SMILES for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide is Cc1cc2sc(NC(=O)Cc3ccccc3)nc2cc1Cl.
What is the InChIKey of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide?
The InChIKey is DYHAMRNAHTWYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-10-7-14-13(9-12(10)17)18-16(21-14)19-15(20)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H,18,19,20).
What are the key properties of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide?
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide has a molecular weight of 316.81 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 851474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).