2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide

C17H16N2OS2 — CID 2707132

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C17H16N2OS2/c1-19(11-13-7-3-2-4-8-13)16(20)12-21-17-18-14-9-5-6-10-15(14)22-17/h2-10H,11-12H2,1H3
InChIKeySDTICHJHDJWDOC-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.05
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide (PubChem CID 2707132) has the molecular formula C17H16N2OS2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide
PubChem CID2707132
Molecular FormulaC17H16N2OS2
Molecular Weight328.46 g/mol
Exact Mass328.07
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CSc1nc2ccccc2s1
InChIInChI=1S/C17H16N2OS2/c1-19(11-13-7-3-2-4-8-13)16(20)12-21-17-18-14-9-5-6-10-15(14)22-17/h2-10H,11-12H2,1H3
InChIKeySDTICHJHDJWDOC-UHFFFAOYSA-N
XLogP4.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 16539636
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-ethoxyphenyl)methyl]-N-methylacetamide
CID 7465381
2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 9006502
2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]-methylamino]acetic acid
CID 43241042
2-(1,3-benzothiazol-2-ylsulfanyl)-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 29171321
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-methylacetamide
CID 7756834
2-(1,3-benzothiazol-2-ylsulfanyl)-N-chloro-N-phenylacetamide
CID 89019397
calcium 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid
CID 54604872
2-(1,3-benzothiazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide
CID 43853387
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]acetamide
CID 60598532
2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)acetamide
CID 23803944
2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide
CID 687277

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide (CID 2707132) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide is CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide?
The InChIKey is SDTICHJHDJWDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS2/c1-19(11-13-7-3-2-4-8-13)16(20)12-21-17-18-14-9-5-6-10-15(14)22-17/h2-10H,11-12H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide has a molecular weight of 328.46 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzyl-N-methylacetamide is sourced from PubChem (CID 2707132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).