[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate

C18H14ClN3O3S — CID 9414135

About [2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate

[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate (PubChem CID 9414135) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is [2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate.

Molecular Properties

• Compound Name: [2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate
• PubChem CID: 9414135
• Molecular Formula: C18H14ClN3O3S
• Molecular Weight: 387.85 g/mol
• Exact Mass: 387.04
• IUPAC Name: [2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate
• SMILES: O=C(COC(=O)c1cccnc1)/N=c1\sccn1Cc1ccccc1Cl
• InChI: InChI=1S/C18H14ClN3O3S/c19-15-6-2-1-4-14(15)11-22-8-9-26-18(22)21-16(23)12-25-17(24)13-5-3-7-20-10-13/h1-10H,11-12H2/b21-18-
• InChIKey: DHVCCLKFYICTPO-UZYVYHOESA-N
• XLogP: 2.93
• TPSA: 73.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.85
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate?

The IUPAC name of [2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate (CID 9414135) is [2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate.

What is the SMILES notation for [2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate?

The canonical SMILES for [2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate is O=C(COC(=O)c1cccnc1)/N=c1\sccn1Cc1ccccc1Cl.

What is the InChIKey of [2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate?

The InChIKey is DHVCCLKFYICTPO-UZYVYHOESA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c19-15-6-2-1-4-14(15)11-22-8-9-26-18(22)21-16(23)12-25-17(24)13-5-3-7-20-10-13/h1-10H,11-12H2/b21-18-.

What are the key properties of [2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate?

[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate has a molecular weight of 387.85 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate is sourced from PubChem (CID 9414135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).