2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one

C19H11ClN2O4S2 — CID 32617724

IUPAC2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILESO=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2cc3cc(Cl)ccc3o2)cs1
InChIInChI=1S/C19H11ClN2O4S2/c20-12-5-6-15-11(7-12)8-16(26-15)14-10-27-18(21-14)9-22-19(23)13-3-1-2-4-17(13)28(22,24)25/h1-8,10H,9H2
InChIKeyKJQITZYRAHCOPI-UHFFFAOYSA-N
MW430.89 g/mol
LogP4.55
Rot. Bonds3

About 2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one

2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one (PubChem CID 32617724) has the molecular formula C19H11ClN2O4S2 and a molecular weight of 430.89 g/mol. Its IUPAC name is 2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
PubChem CID32617724
Molecular FormulaC19H11ClN2O4S2
Molecular Weight430.89 g/mol
Exact Mass429.98
IUPAC Name2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILESO=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2cc3cc(Cl)ccc3o2)cs1
InChIInChI=1S/C19H11ClN2O4S2/c20-12-5-6-15-11(7-12)8-16(26-15)14-10-27-18(21-14)9-22-19(23)13-3-1-2-4-17(13)28(22,24)25/h1-8,10H,9H2
InChIKeyKJQITZYRAHCOPI-UHFFFAOYSA-N
XLogP4.55
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.89
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The IUPAC name of 2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one (CID 32617724) is 2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The canonical SMILES for 2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one is O=C1c2ccccc2S(=O)(=O)N1Cc1nc(-c2cc3cc(Cl)ccc3o2)cs1.
What is the InChIKey of 2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The InChIKey is KJQITZYRAHCOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN2O4S2/c20-12-5-6-15-11(7-12)8-16(26-15)14-10-27-18(21-14)9-22-19(23)13-3-1-2-4-17(13)28(22,24)25/h1-8,10H,9H2.
What are the key properties of 2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one?
2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one has a molecular weight of 430.89 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-chloro-1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 32617724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).