2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide

C16H15ClN6OS — CID 146338599

About 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide

2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 146338599) has the molecular formula C16H15ClN6OS and a molecular weight of 374.86 g/mol. Its IUPAC name is 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide
• PubChem CID: 146338599
• Molecular Formula: C16H15ClN6OS
• Molecular Weight: 374.86 g/mol
• Exact Mass: 374.07
• IUPAC Name: 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide
• SMILES: CNc1cc(C)nc(Nc2ccc(Cl)c(C(=O)Nc3nccs3)c2)n1
• InChI: InChI=1S/C16H15ClN6OS/c1-9-7-13(18-2)22-15(20-9)21-10-3-4-12(17)11(8-10)14(24)23-16-19-5-6-25-16/h3-8H,1-2H3,(H,19,23,24)(H2,18,20,21,22)
• InChIKey: ALKNVMTUBXBXJU-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 91.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.86
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide?

The IUPAC name of 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide (CID 146338599) is 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide?

The canonical SMILES for 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide is CNc1cc(C)nc(Nc2ccc(Cl)c(C(=O)Nc3nccs3)c2)n1.

What is the InChIKey of 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide?

The InChIKey is ALKNVMTUBXBXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6OS/c1-9-7-13(18-2)22-15(20-9)21-10-3-4-12(17)11(8-10)14(24)23-16-19-5-6-25-16/h3-8H,1-2H3,(H,19,23,24)(H2,18,20,21,22).

What are the key properties of 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide?

2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 374.86 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[[4-methyl-6-(methylamino)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 146338599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).