2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

C14H24N4S — CID 79312814

About 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine

2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (PubChem CID 79312814) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
• PubChem CID: 79312814
• Molecular Formula: C14H24N4S
• Molecular Weight: 280.44 g/mol
• Exact Mass: 280.17
• IUPAC Name: 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
• SMILES: CN(CC1CCCN1C)c1nc2c(s1)CCCC2N
• InChI: InChI=1S/C14H24N4S/c1-17-8-4-5-10(17)9-18(2)14-16-13-11(15)6-3-7-12(13)19-14/h10-11H,3-9,15H2,1-2H3
• InChIKey: JNVFOLZYRKGYJS-UHFFFAOYSA-N
• XLogP: 2.01
• TPSA: 45.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.44
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?

The IUPAC name of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine (CID 79312814) is 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine.

What is the SMILES notation for 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?

The canonical SMILES for 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is CN(CC1CCCN1C)c1nc2c(s1)CCCC2N.

What is the InChIKey of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?

The InChIKey is JNVFOLZYRKGYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-17-8-4-5-10(17)9-18(2)14-16-13-11(15)6-3-7-12(13)19-14/h10-11H,3-9,15H2,1-2H3.

What are the key properties of 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine?

2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine has a molecular weight of 280.44 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-methyl-2-N-[(1-methylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine is sourced from PubChem (CID 79312814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).