N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

C23H27N5OS — CID 110243936

About N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110243936) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 110243936
• Molecular Formula: C23H27N5OS
• Molecular Weight: 421.57 g/mol
• Exact Mass: 421.19
• IUPAC Name: N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1cccc(C(Cc2cc(N(C)C)nc(C3CC3)n2)NC(=O)c2scnc2C)c1
• InChI: InChI=1S/C23H27N5OS/c1-14-6-5-7-17(10-14)19(26-23(29)21-15(2)24-13-30-21)11-18-12-20(28(3)4)27-22(25-18)16-8-9-16/h5-7,10,12-13,16,19H,8-9,11H2,1-4H3,(H,26,29)
• InChIKey: NHCZHCNQIZFTOI-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 71.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.57
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 110243936) is N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1cccc(C(Cc2cc(N(C)C)nc(C3CC3)n2)NC(=O)c2scnc2C)c1.

What is the InChIKey of N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is NHCZHCNQIZFTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c1-14-6-5-7-17(10-14)19(26-23(29)21-15(2)24-13-30-21)11-18-12-20(28(3)4)27-22(25-18)16-8-9-16/h5-7,10,12-13,16,19H,8-9,11H2,1-4H3,(H,26,29).

What are the key properties of N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide?

N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-cyclopropyl-6-(dimethylamino)pyrimidin-4-yl]-1-(3-methylphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110243936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).