2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide

C17H16N2O2S2 — CID 3950799

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)Sc1nc2ccccc2s1
InChIInChI=1S/C17H16N2O2S2/c1-11(16(20)18-12-7-3-5-9-14(12)21-2)22-17-19-13-8-4-6-10-15(13)23-17/h3-11H,1-2H3,(H,18,20)
InChIKeyHQIMHIHJWLFOMP-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.42
Rot. Bonds5

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide (PubChem CID 3950799) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide
PubChem CID3950799
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)C(C)Sc1nc2ccccc2s1
InChIInChI=1S/C17H16N2O2S2/c1-11(16(20)18-12-7-3-5-9-14(12)21-2)22-17-19-13-8-4-6-10-15(13)23-17/h3-11H,1-2H3,(H,18,20)
InChIKeyHQIMHIHJWLFOMP-UHFFFAOYSA-N
XLogP4.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide 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

(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 7795905
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 2621017
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide
CID 7756911
N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 18777406
methyl (2S)-2-(1,3-benzothiazol-2-ylsulfanyl)propanoate
CID 7034825
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2,4-dimethylphenyl)propanamide
CID 46620299
(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 2084302
(2R)-N-(2-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2086791
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-chlorophenyl)propanamide
CID 7865333
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(2,5-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 16815364
3-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide
CID 851293
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41323684

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide (CID 3950799) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)C(C)Sc1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is HQIMHIHJWLFOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-11(16(20)18-12-7-3-5-9-14(12)21-2)22-17-19-13-8-4-6-10-15(13)23-17/h3-11H,1-2H3,(H,18,20).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 344.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 3950799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).