N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide

C15H15ClN2O3S — CID 86847555

About N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 86847555) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide
• PubChem CID: 86847555
• Molecular Formula: C15H15ClN2O3S
• Molecular Weight: 338.82 g/mol
• Exact Mass: 338.05
• IUPAC Name: N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide
• SMILES: CCc1ncc(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)s1
• InChI: InChI=1S/C15H15ClN2O3S/c1-2-13-17-8-12(22-13)15(19)18-7-9-5-10(16)14-11(6-9)20-3-4-21-14/h5-6,8H,2-4,7H2,1H3,(H,18,19)
• InChIKey: UUNZMPMSFQEHNI-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.82
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide (CID 86847555) is N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)s1.

What is the InChIKey of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide?

The InChIKey is UUNZMPMSFQEHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-2-13-17-8-12(22-13)15(19)18-7-9-5-10(16)14-11(6-9)20-3-4-21-14/h5-6,8H,2-4,7H2,1H3,(H,18,19).

What are the key properties of N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide?

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 338.82 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86847555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).