N-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide

C19H20N2O2S2 — CID 44919373

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
SMILESCc1cccc2sc(N(CC3CCCO3)C(=O)Cc3cccs3)nc12
InChIInChI=1S/C19H20N2O2S2/c1-13-5-2-8-16-18(13)20-19(25-16)21(12-14-6-3-9-23-14)17(22)11-15-7-4-10-24-15/h2,4-5,7-8,10,14H,3,6,9,11-12H2,1H3
InChIKeyLEMWZYCYMWRZTR-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.42
Rot. Bonds5

About N-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide

N-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide (PubChem CID 44919373) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
PubChem CID44919373
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
SMILESCc1cccc2sc(N(CC3CCCO3)C(=O)Cc3cccs3)nc12
InChIInChI=1S/C19H20N2O2S2/c1-13-5-2-8-16-18(13)20-19(25-16)21(12-14-6-3-9-23-14)17(22)11-15-7-4-10-24-15/h2,4-5,7-8,10,14H,3,6,9,11-12H2,1H3
InChIKeyLEMWZYCYMWRZTR-UHFFFAOYSA-N
XLogP4.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
CID 44919389
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989779
2-(3,4-dimethylphenyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989731
2-(2,5-dimethylphenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989690
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 44919431
2-(4-methylsulfanylphenyl)-N-(oxolan-2-ylmethyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16938857
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 8702954
N-(oxolan-2-ylmethyl)-3-phenyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938809
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide
CID 16849771
N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-4-[methyl-[[(2S)-oxolan-2-yl]methyl]sulfamoyl]benzamide
CID 42428145
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide
CID 16849731
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 43990106

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide (CID 44919373) is N-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide is Cc1cccc2sc(N(CC3CCCO3)C(=O)Cc3cccs3)nc12.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
The InChIKey is LEMWZYCYMWRZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-13-5-2-8-16-18(13)20-19(25-16)21(12-14-6-3-9-23-14)17(22)11-15-7-4-10-24-15/h2,4-5,7-8,10,14H,3,6,9,11-12H2,1H3.
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
N-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide has a molecular weight of 372.52 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 44919373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).