N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide

C20H22N2O2S2 — CID 44919389

IUPACN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
SMILESCc1ccc2sc(N(CC3CCCO3)C(=O)Cc3cccs3)nc2c1C
InChIInChI=1S/C20H22N2O2S2/c1-13-7-8-17-19(14(13)2)21-20(26-17)22(12-15-5-3-9-24-15)18(23)11-16-6-4-10-25-16/h4,6-8,10,15H,3,5,9,11-12H2,1-2H3
InChIKeyMRAMIBSTSJLHIW-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.73
Rot. Bonds5

About N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide (PubChem CID 44919389) has the molecular formula C20H22N2O2S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
PubChem CID44919389
Molecular FormulaC20H22N2O2S2
Molecular Weight386.54 g/mol
Exact Mass386.11
IUPAC NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
SMILESCc1ccc2sc(N(CC3CCCO3)C(=O)Cc3cccs3)nc2c1C
InChIInChI=1S/C20H22N2O2S2/c1-13-7-8-17-19(14(13)2)21-20(26-17)22(12-15-5-3-9-24-15)18(23)11-16-6-4-10-25-16/h4,6-8,10,15H,3,5,9,11-12H2,1-2H3
InChIKeyMRAMIBSTSJLHIW-UHFFFAOYSA-N
XLogP4.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide
CID 44919373
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide
CID 16849771
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989750
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8718604
2-(3,4-dimethylphenyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989731
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989779
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
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989745
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(2,5-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989703
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 43990106
N-[3-[1,3-benzothiazol-2-yl(oxolan-2-ylmethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 55362818

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide (CID 44919389) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide is Cc1ccc2sc(N(CC3CCCO3)C(=O)Cc3cccs3)nc2c1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
The InChIKey is MRAMIBSTSJLHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S2/c1-13-7-8-17-19(14(13)2)21-20(26-17)22(12-15-5-3-9-24-15)18(23)11-16-6-4-10-25-16/h4,6-8,10,15H,3,5,9,11-12H2,1-2H3.
What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide?
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide has a molecular weight of 386.54 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 44919389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).