N-[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride

C22H21Cl2N5S — CID 69234194

About N-[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride

N-[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride (PubChem CID 69234194) has the molecular formula C22H21Cl2N5S and a molecular weight of 458.42 g/mol. Its IUPAC name is N-[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride.

Molecular Properties

• Compound Name: N-[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride
• PubChem CID: 69234194
• Molecular Formula: C22H21Cl2N5S
• Molecular Weight: 458.42 g/mol
• Exact Mass: 457.09
• IUPAC Name: N-[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride
• SMILES: Cl.Cl.c1cc(Nc2ccc(CN3Cc4ccccc4C3)cn2)nc(-c2nccs2)c1
• InChI: InChI=1S/C22H19N5S.2ClH/c1-2-5-18-15-27(14-17(18)4-1)13-16-8-9-20(24-12-16)26-21-7-3-6-19(25-21)22-23-10-11-28-22;;/h1-12H,13-15H2,(H,24,25,26);2*1H
• InChIKey: CIOSTVDOSFMLSP-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 53.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.42
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride?

The IUPAC name of N-[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride (CID 69234194) is N-[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride.

What is the SMILES notation for N-[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride?

The canonical SMILES for N-[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride is Cl.Cl.c1cc(Nc2ccc(CN3Cc4ccccc4C3)cn2)nc(-c2nccs2)c1.

What is the InChIKey of N-[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride?

The InChIKey is CIOSTVDOSFMLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5S.2ClH/c1-2-5-18-15-27(14-17(18)4-1)13-16-8-9-20(24-12-16)26-21-7-3-6-19(25-21)22-23-10-11-28-22;;/h1-12H,13-15H2,(H,24,25,26);2*1H.

What are the key properties of N-[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride?

N-[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride has a molecular weight of 458.42 g/mol, XLogP of 5.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1,3-dihydroisoindol-2-ylmethyl)-2-pyridinyl]-6-(1,3-thiazol-2-yl)pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 69234194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).