2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C23H24N2O4S — CID 41108746

IUPAC2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1cc2nc(N(C[C@@H]3CCCO3)C(=O)Cc3ccc4c(c3)OCO4)sc2cc1C
InChIInChI=1S/C23H24N2O4S/c1-14-8-18-21(9-15(14)2)30-23(24-18)25(12-17-4-3-7-27-17)22(26)11-16-5-6-19-20(10-16)29-13-28-19/h5-6,8-10,17H,3-4,7,11-13H2,1-2H3/t17-/m0/s1
InChIKeyUCZGTZWCQAXMBA-KRWDZBQOSA-N
MW424.52 g/mol
LogP4.40
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 41108746) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID41108746
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1cc2nc(N(C[C@@H]3CCCO3)C(=O)Cc3ccc4c(c3)OCO4)sc2cc1C
InChIInChI=1S/C23H24N2O4S/c1-14-8-18-21(9-15(14)2)30-23(24-18)25(12-17-4-3-7-27-17)22(26)11-16-5-6-19-20(10-16)29-13-28-19/h5-6,8-10,17H,3-4,7,11-13H2,1-2H3/t17-/m0/s1
InChIKeyUCZGTZWCQAXMBA-KRWDZBQOSA-N
XLogP4.40
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethylphenyl)-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989739
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8719354
2-(3,4-dimethylphenyl)-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989731
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989745
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 16848639
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(3,4-dimethylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 43989750
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide
CID 16849749
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide
CID 16849771
N-(6-methoxy-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 43990137
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-naphthalen-2-yl-N-(oxolan-2-ylmethyl)acetamide
CID 16849731
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(oxolan-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989787
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 2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 41108746) is 2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1cc2nc(N(C[C@@H]3CCCO3)C(=O)Cc3ccc4c(c3)OCO4)sc2cc1C.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is UCZGTZWCQAXMBA-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-14-8-18-21(9-15(14)2)30-23(24-18)25(12-17-4-3-7-27-17)22(26)11-16-5-6-19-20(10-16)29-13-28-19/h5-6,8-10,17H,3-4,7,11-13H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 424.52 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 41108746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).