5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine

C15H22N4S — CID 62546220

IUPAC5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine
SMILESCc1nc2cc(N(C)C3CCCN(C)C3)c(N)cc2s1
InChIInChI=1S/C15H22N4S/c1-10-17-13-8-14(12(16)7-15(13)20-10)19(3)11-5-4-6-18(2)9-11/h7-8,11H,4-6,9,16H2,1-3H3
InChIKeyBLSNRQRIJNBQPF-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.72
Rot. Bonds2

About 5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine

5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine (PubChem CID 62546220) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine.

Molecular Properties

Compound Name5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine
PubChem CID62546220
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine
SMILESCc1nc2cc(N(C)C3CCCN(C)C3)c(N)cc2s1
InChIInChI=1S/C15H22N4S/c1-10-17-13-8-14(12(16)7-15(13)20-10)19(3)11-5-4-6-18(2)9-11/h7-8,11H,4-6,9,16H2,1-3H3
InChIKeyBLSNRQRIJNBQPF-UHFFFAOYSA-N
XLogP2.72
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine?
The IUPAC name of 5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine (CID 62546220) is 5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine.
What is the SMILES notation for 5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine?
The canonical SMILES for 5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine is Cc1nc2cc(N(C)C3CCCN(C)C3)c(N)cc2s1.
What is the InChIKey of 5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine?
The InChIKey is BLSNRQRIJNBQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-10-17-13-8-14(12(16)7-15(13)20-10)19(3)11-5-4-6-18(2)9-11/h7-8,11H,4-6,9,16H2,1-3H3.
What are the key properties of 5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine?
5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine has a molecular weight of 290.44 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,2-dimethyl-5-N-(1-methylpiperidin-3-yl)-1,3-benzothiazole-5,6-diamine is sourced from PubChem (CID 62546220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).