1-[2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-morpholin-4-ylpropan-1-one

C22H31N5O3S — CID 110093631

About 1-[2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-morpholin-4-ylpropan-1-one

1-[2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 110093631) has the molecular formula C22H31N5O3S and a molecular weight of 445.59 g/mol. Its IUPAC name is 1-[2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

• Compound Name: 1-[2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-morpholin-4-ylpropan-1-one
• PubChem CID: 110093631
• Molecular Formula: C22H31N5O3S
• Molecular Weight: 445.59 g/mol
• Exact Mass: 445.21
• IUPAC Name: 1-[2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-morpholin-4-ylpropan-1-one
• SMILES: Cc1cc(Nc2nc(C)c(C)s2)cc(C2CN(C(=O)CCN3CCOCC3)CCO2)n1
• InChI: InChI=1S/C22H31N5O3S/c1-15-12-18(25-22-24-16(2)17(3)31-22)13-19(23-15)20-14-27(8-11-30-20)21(28)4-5-26-6-9-29-10-7-26/h12-13,20H,4-11,14H2,1-3H3,(H,23,24,25)
• InChIKey: CNJKHHPJLZYPBV-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 79.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.59
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-morpholin-4-ylpropan-1-one (CID 110093631) is 1-[2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-morpholin-4-ylpropan-1-one.

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

The canonical SMILES for 1-[2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-morpholin-4-ylpropan-1-one is Cc1cc(Nc2nc(C)c(C)s2)cc(C2CN(C(=O)CCN3CCOCC3)CCO2)n1.

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

The InChIKey is CNJKHHPJLZYPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3S/c1-15-12-18(25-22-24-16(2)17(3)31-22)13-19(23-15)20-14-27(8-11-30-20)21(28)4-5-26-6-9-29-10-7-26/h12-13,20H,4-11,14H2,1-3H3,(H,23,24,25).

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

1-[2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 445.59 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 110093631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).