N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride

C19H16Cl3N5OS2 — CID 87228881

About N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride

N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride (PubChem CID 87228881) has the molecular formula C19H16Cl3N5OS2 and a molecular weight of 500.86 g/mol. Its IUPAC name is N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride.

Molecular Properties

• Compound Name: N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride
• PubChem CID: 87228881
• Molecular Formula: C19H16Cl3N5OS2
• Molecular Weight: 500.86 g/mol
• Exact Mass: 498.99
• IUPAC Name: N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride
• SMILES: Cc1csc(Nc2ncc(Sc3ccnc(Cl)n3)cc2Oc2ccccc2)n1.Cl.Cl
• InChI: InChI=1S/C19H14ClN5OS2.2ClH/c1-12-11-27-19(23-12)25-17-15(26-13-5-3-2-4-6-13)9-14(10-22-17)28-16-7-8-21-18(20)24-16;;/h2-11H,1H3,(H,22,23,25);2*1H
• InChIKey: HOJRPZJOKXGRJP-UHFFFAOYSA-N
• XLogP: 6.82
• TPSA: 72.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.86
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride?

The IUPAC name of N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride (CID 87228881) is N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride.

What is the SMILES notation for N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride?

The canonical SMILES for N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride is Cc1csc(Nc2ncc(Sc3ccnc(Cl)n3)cc2Oc2ccccc2)n1.Cl.Cl.

What is the InChIKey of N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride?

The InChIKey is HOJRPZJOKXGRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5OS2.2ClH/c1-12-11-27-19(23-12)25-17-15(26-13-5-3-2-4-6-13)9-14(10-22-17)28-16-7-8-21-18(20)24-16;;/h2-11H,1H3,(H,22,23,25);2*1H.

What are the key properties of N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride?

N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride has a molecular weight of 500.86 g/mol, XLogP of 6.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-chloropyrimidin-4-yl)sulfanyl-3-phenoxy-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;dihydrochloride is sourced from PubChem (CID 87228881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).