5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione

C17H24N4O2S — CID 91042463

IUPAC5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione
SMILESCN(C)CC/N=C1\CC(=O)c2sc(CN3CCCCC3)nc2C1=O
InChIInChI=1S/C17H24N4O2S/c1-20(2)9-6-18-12-10-13(22)17-15(16(12)23)19-14(24-17)11-21-7-4-3-5-8-21/h3-11H2,1-2H3/b18-12+
InChIKeyUCCSKSPRGVAFKM-LDADJPATSA-N
MW348.47 g/mol
LogP1.90
Rot. Bonds5

About 5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione

5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione (PubChem CID 91042463) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione
PubChem CID91042463
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione
SMILESCN(C)CC/N=C1\CC(=O)c2sc(CN3CCCCC3)nc2C1=O
InChIInChI=1S/C17H24N4O2S/c1-20(2)9-6-18-12-10-13(22)17-15(16(12)23)19-14(24-17)11-21-7-4-3-5-8-21/h3-11H2,1-2H3/b18-12+
InChIKeyUCCSKSPRGVAFKM-LDADJPATSA-N
XLogP1.90
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-[2-(dimethylamino)ethylimino]-2-(pyrrolidine-1-carbonyl)-1,3-benzothiazole-4,7-dione
CID 91151640
5-[2-(dimethylamino)ethylimino]-2-(4-fluorophenyl)-1,3-benzoxazole-4,7-dione
CID 91116587
2-[4-(diethylamino)phenyl]-5-[2-(dimethylamino)ethylimino]-1,3-benzoxazole-4,7-dione
CID 91417969
2-(azepan-1-ylmethyl)-4-methyl-1,3-thiazole-5-carbonitrile
CID 82427769
[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 110387320
1-[2-(azepan-1-ylmethyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 82430866
1-[4-propan-2-yl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 82435252
2-(azocan-1-ylmethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 9460630
methyl-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]carbamic acid
CID 67217853
2-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82117421
ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 110387370
2-(azepan-1-ylmethyl)-4-butyl-1,3-thiazole-5-carboxylic acid
CID 82227287

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione?
The IUPAC name of 5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione (CID 91042463) is 5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione.
What is the SMILES notation for 5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione?
The canonical SMILES for 5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione is CN(C)CC/N=C1\CC(=O)c2sc(CN3CCCCC3)nc2C1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione?
The InChIKey is UCCSKSPRGVAFKM-LDADJPATSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-20(2)9-6-18-12-10-13(22)17-15(16(12)23)19-14(24-17)11-21-7-4-3-5-8-21/h3-11H2,1-2H3/b18-12+.
What are the key properties of 5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione?
5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione has a molecular weight of 348.47 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylimino]-2-(piperidin-1-ylmethyl)-1,3-benzothiazole-4,7-dione is sourced from PubChem (CID 91042463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).