4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C21H23N3O2S — CID 51950170

About 4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 51950170) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 51950170
• Molecular Formula: C21H23N3O2S
• Molecular Weight: 381.50 g/mol
• Exact Mass: 381.15
• IUPAC Name: 4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1cccc(OC(C)C)c1
• InChI: InChI=1S/C21H23N3O2S/c1-13(2)26-17-9-7-8-16(12-17)14(3)23-20(25)19-15(4)24-21(27-19)18-10-5-6-11-22-18/h5-14H,1-4H3,(H,23,25)/t14-/m1/s1
• InChIKey: GXHFHRRKVHVOLS-CQSZACIVSA-N
• XLogP: 4.79
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.50
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 51950170) is 4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1cccc(OC(C)C)c1.

What is the InChIKey of 4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is GXHFHRRKVHVOLS-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-13(2)26-17-9-7-8-16(12-17)14(3)23-20(25)19-15(4)24-21(27-19)18-10-5-6-11-22-18/h5-14H,1-4H3,(H,23,25)/t14-/m1/s1.

What are the key properties of 4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51950170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).