2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

C24H25ClN2O4S — CID 46469744

About 2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 46469744) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 46469744
• Molecular Formula: C24H25ClN2O4S
• Molecular Weight: 472.99 g/mol
• Exact Mass: 472.12
• IUPAC Name: 2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: COc1cc(CNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)ccc1OCC1CCCO1
• InChI: InChI=1S/C24H25ClN2O4S/c1-15-22(32-24(27-15)17-5-3-6-18(25)12-17)23(28)26-13-16-8-9-20(21(11-16)29-2)31-14-19-7-4-10-30-19/h3,5-6,8-9,11-12,19H,4,7,10,13-14H2,1-2H3,(H,26,28)
• InChIKey: BPVONPTUQCKMHF-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 69.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.99
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 46469744) is 2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is COc1cc(CNC(=O)c2sc(-c3cccc(Cl)c3)nc2C)ccc1OCC1CCCO1.

What is the InChIKey of 2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is BPVONPTUQCKMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-15-22(32-24(27-15)17-5-3-6-18(25)12-17)23(28)26-13-16-8-9-20(21(11-16)29-2)31-14-19-7-4-10-30-19/h3,5-6,8-9,11-12,19H,4,7,10,13-14H2,1-2H3,(H,26,28).

What are the key properties of 2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?

2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 472.99 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chlorophenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46469744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).