4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C20H21N3OS — CID 30134184

About 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 30134184) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 30134184
• Molecular Formula: C20H21N3OS
• Molecular Weight: 351.48 g/mol
• Exact Mass: 351.14
• IUPAC Name: 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1cccc(C(C)C)c1NC(=O)c1sc(-c2cccnc2)nc1C
• InChI: InChI=1S/C20H21N3OS/c1-12(2)16-9-5-7-13(3)17(16)23-19(24)18-14(4)22-20(25-18)15-8-6-10-21-11-15/h5-12H,1-4H3,(H,23,24)
• InChIKey: VWQLFNHPDFEGJX-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	351.48
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 30134184) is 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1sc(-c2cccnc2)nc1C.

What is the InChIKey of 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

The InChIKey is VWQLFNHPDFEGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-12(2)16-9-5-7-13(3)17(16)23-19(24)18-14(4)22-20(25-18)15-8-6-10-21-11-15/h5-12H,1-4H3,(H,23,24).

What are the key properties of 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30134184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).