4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine

C19H23N5OS2 — CID 110093061

About 4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine

4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 110093061) has the molecular formula C19H23N5OS2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
• PubChem CID: 110093061
• Molecular Formula: C19H23N5OS2
• Molecular Weight: 401.56 g/mol
• Exact Mass: 401.13
• IUPAC Name: 4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
• SMILES: Cc1ncc(CN2CCOC(c3cccc(Nc4nc(C)c(C)s4)n3)C2)s1
• InChI: InChI=1S/C19H23N5OS2/c1-12-13(2)26-19(21-12)23-18-6-4-5-16(22-18)17-11-24(7-8-25-17)10-15-9-20-14(3)27-15/h4-6,9,17H,7-8,10-11H2,1-3H3,(H,21,22,23)
• InChIKey: ZRBVLBHNAXLVQR-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 63.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.56
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?

The IUPAC name of 4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine (CID 110093061) is 4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine.

What is the SMILES notation for 4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?

The canonical SMILES for 4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine is Cc1ncc(CN2CCOC(c3cccc(Nc4nc(C)c(C)s4)n3)C2)s1.

What is the InChIKey of 4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?

The InChIKey is ZRBVLBHNAXLVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS2/c1-12-13(2)26-19(21-12)23-18-6-4-5-16(22-18)17-11-24(7-8-25-17)10-15-9-20-14(3)27-15/h4-6,9,17H,7-8,10-11H2,1-3H3,(H,21,22,23).

What are the key properties of 4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?

4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 401.56 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-N-[6-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 110093061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).