N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

C25H24ClN7O2S — CID 25166782

About N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 25166782) has the molecular formula C25H24ClN7O2S and a molecular weight of 522.03 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 25166782
• Molecular Formula: C25H24ClN7O2S
• Molecular Weight: 522.03 g/mol
• Exact Mass: 521.14
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(-c2ccnc(N3CCOCC3)c2)n1
• InChI: InChI=1S/C25H24ClN7O2S/c1-15-4-3-5-18(26)23(15)32-24(34)20-14-28-25(36-20)31-21-13-19(29-16(2)30-21)17-6-7-27-22(12-17)33-8-10-35-11-9-33/h3-7,12-14H,8-11H2,1-2H3,(H,32,34)(H,28,29,30,31)
• InChIKey: IBBDFIIKJZJYCT-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 105.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.03
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (CID 25166782) is N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(-c2ccnc(N3CCOCC3)c2)n1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is IBBDFIIKJZJYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN7O2S/c1-15-4-3-5-18(26)23(15)32-24(34)20-14-28-25(36-20)31-21-13-19(29-16(2)30-21)17-6-7-27-22(12-17)33-8-10-35-11-9-33/h3-7,12-14H,8-11H2,1-2H3,(H,32,34)(H,28,29,30,31).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 522.03 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(2-morpholin-4-yl-4-pyridinyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25166782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).