5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione

C15H21N3O2S — CID 10193176

IUPAC5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione
SMILESCc1nc2c(s1)C(=O)C=C(NCCCCCN(C)C)C2=O
InChIInChI=1S/C15H21N3O2S/c1-10-17-13-14(20)11(9-12(19)15(13)21-10)16-7-5-4-6-8-18(2)3/h9,16H,4-8H2,1-3H3
InChIKeyHKWNHMXMJJHFPA-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.04
Rot. Bonds7

About 5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione

5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione (PubChem CID 10193176) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione.

Molecular Properties

Compound Name5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione
PubChem CID10193176
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione
SMILESCc1nc2c(s1)C(=O)C=C(NCCCCCN(C)C)C2=O
InChIInChI=1S/C15H21N3O2S/c1-10-17-13-14(20)11(9-12(19)15(13)21-10)16-7-5-4-6-8-18(2)3/h9,16H,4-8H2,1-3H3
InChIKeyHKWNHMXMJJHFPA-UHFFFAOYSA-N
XLogP2.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione?
The IUPAC name of 5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione (CID 10193176) is 5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione.
What is the SMILES notation for 5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione?
The canonical SMILES for 5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione is Cc1nc2c(s1)C(=O)C=C(NCCCCCN(C)C)C2=O.
What is the InChIKey of 5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione?
The InChIKey is HKWNHMXMJJHFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10-17-13-14(20)11(9-12(19)15(13)21-10)16-7-5-4-6-8-18(2)3/h9,16H,4-8H2,1-3H3.
What are the key properties of 5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione?
5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione has a molecular weight of 307.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(dimethylamino)pentylamino]-2-methyl-1,3-benzothiazole-4,7-dione is sourced from PubChem (CID 10193176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).