N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C23H25N3O3S — CID 55702056

About N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55702056) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 55702056
• Molecular Formula: C23H25N3O3S
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.16
• IUPAC Name: N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
• SMILES: COc1ccccc1CN(CC1CCCO1)C(=O)c1sc(-c2ccccn2)nc1C
• InChI: InChI=1S/C23H25N3O3S/c1-16-21(30-22(25-16)19-10-5-6-12-24-19)23(27)26(15-18-9-7-13-29-18)14-17-8-3-4-11-20(17)28-2/h3-6,8,10-12,18H,7,9,13-15H2,1-2H3
• InChIKey: KXYAHXVGBAFTEZ-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 64.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 55702056) is N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is COc1ccccc1CN(CC1CCCO1)C(=O)c1sc(-c2ccccn2)nc1C.

What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

The InChIKey is KXYAHXVGBAFTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-16-21(30-22(25-16)19-10-5-6-12-24-19)23(27)26(15-18-9-7-13-29-18)14-17-8-3-4-11-20(17)28-2/h3-6,8,10-12,18H,7,9,13-15H2,1-2H3.

What are the key properties of N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?

N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)methyl]-4-methyl-N-(oxolan-2-ylmethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55702056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).