N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide

C16H14N2OS2 — CID 2529752

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide
SMILESCc1nc2ccc(NC(=O)CSc3ccccc3)cc2s1
InChIInChI=1S/C16H14N2OS2/c1-11-17-14-8-7-12(9-15(14)21-11)18-16(19)10-20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,19)
InChIKeyRNZAMNSKXGQZEJ-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.34
Rot. Bonds4

About N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide

N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide (PubChem CID 2529752) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide
PubChem CID2529752
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide
SMILESCc1nc2ccc(NC(=O)CSc3ccccc3)cc2s1
InChIInChI=1S/C16H14N2OS2/c1-11-17-14-8-7-12(9-15(14)21-11)18-16(19)10-20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,19)
InChIKeyRNZAMNSKXGQZEJ-UHFFFAOYSA-N
XLogP4.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Methyl-6-benzothiazolyl)acetamide
CID 596481
1-(Benzthiazol-2-ylthio)-propan-2-one
CID 252398
2-Phenyl-benzothiazol-6-ylamine
CID 459117
2-Methyl-1,3-benzothiazol-6-amine
CID 762831
N-(2-amino-1,3-benzothiazol-6-yl)acetamide
CID 231904
N-(2-Methyl-1,3-benzothiazol-5-yl)acetamide
CID 596204
2-(6-Aminobenzothiazol-2-ylthio)-1-morpholin-4-ylethan-1-one
CID 728689
2-(4-Amino-phenyl)-benzothiazol-6-ylamine
CID 759407
3-((2-Benzothiazolylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453437
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 726754
2-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclopentylacetamide
CID 755801
Methyl 2-(6-aminobenzothiazol-2-ylthio)acetate
CID 760825

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide (CID 2529752) is N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide is Cc1nc2ccc(NC(=O)CSc3ccccc3)cc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide?
The InChIKey is RNZAMNSKXGQZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-11-17-14-8-7-12(9-15(14)21-11)18-16(19)10-20-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide?
N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide has a molecular weight of 314.44 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2529752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).