N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride

C20H32ClN5S — CID 120845025

About N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride

N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride (PubChem CID 120845025) has the molecular formula C20H32ClN5S and a molecular weight of 410.03 g/mol. Its IUPAC name is N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride.

Molecular Properties

• Compound Name: N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
• PubChem CID: 120845025
• Molecular Formula: C20H32ClN5S
• Molecular Weight: 410.03 g/mol
• Exact Mass: 409.21
• IUPAC Name: N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride
• SMILES: Cc1ncsc1CN(Cc1ccc(N(C)C(C)C)nc1)CC1CCNC1.Cl
• InChI: InChI=1S/C20H31N5S.ClH/c1-15(2)24(4)20-6-5-17(10-22-20)11-25(12-18-7-8-21-9-18)13-19-16(3)23-14-26-19;/h5-6,10,14-15,18,21H,7-9,11-13H2,1-4H3;1H
• InChIKey: QAEWJZSBFBWMBG-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 44.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.03
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride?

The IUPAC name of N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride (CID 120845025) is N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride.

What is the SMILES notation for N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride?

The canonical SMILES for N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride is Cc1ncsc1CN(Cc1ccc(N(C)C(C)C)nc1)CC1CCNC1.Cl.

What is the InChIKey of N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride?

The InChIKey is QAEWJZSBFBWMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5S.ClH/c1-15(2)24(4)20-6-5-17(10-22-20)11-25(12-18-7-8-21-9-18)13-19-16(3)23-14-26-19;/h5-6,10,14-15,18,21H,7-9,11-13H2,1-4H3;1H.

What are the key properties of N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride?

N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride has a molecular weight of 410.03 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[[(4-methyl-1,3-thiazol-5-yl)methyl-(pyrrolidin-3-ylmethyl)amino]methyl]-N-propan-2-ylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120845025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).