2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide

C18H16N2OS2 — CID 2570567

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H16N2OS2/c21-17(19-14-9-8-12-4-3-5-13(12)10-14)11-22-18-20-15-6-1-2-7-16(15)23-18/h1-2,6-10H,3-5,11H2,(H,19,21)
InChIKeyIMDREAFTADIFDJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.52
Rot. Bonds4

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 2570567) has the molecular formula C18H16N2OS2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID2570567
Molecular FormulaC18H16N2OS2
Molecular Weight340.47 g/mol
Exact Mass340.07
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESO=C(CSc1nc2ccccc2s1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H16N2OS2/c21-17(19-14-9-8-12-4-3-5-13(12)10-14)11-22-18-20-15-6-1-2-7-16(15)23-18/h1-2,6-10H,3-5,11H2,(H,19,21)
InChIKeyIMDREAFTADIFDJ-UHFFFAOYSA-N
XLogP4.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 1348443
3-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]benzoic acid
CID 742353
N-(4-acetylphenyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
CID 687281
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-bromo-4-methoxyphenyl)acetamide
CID 3588623
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4809634
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanyl-1,3-benzothiazol-6-yl]acetamide
CID 21208701
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 9438736
N-(2,3-dihydro-1H-inden-5-yl)-2-quinazolin-4-ylsulfanylacetamide
CID 2652585
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[2-[(4-tert-butylphenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]acetamide
CID 3886364
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-butoxyphenyl)acetamide
CID 3108323
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide
CID 55843004
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxyphenyl)sulfanylacetamide
CID 61031459

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 2570567) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide is O=C(CSc1nc2ccccc2s1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is IMDREAFTADIFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS2/c21-17(19-14-9-8-12-4-3-5-13(12)10-14)11-22-18-20-15-6-1-2-7-16(15)23-18/h1-2,6-10H,3-5,11H2,(H,19,21).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 340.47 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 2570567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).