5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

C16H11N3O2S2 — CID 2555366

IUPAC5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)s1
InChIInChI=1S/C16H11N3O2S2/c1-9-8-17-16(22-9)19-14(20)11-6-7-12(21-11)15-18-10-4-2-3-5-13(10)23-15/h2-8H,1H3,(H,17,19,20)
InChIKeyOZZZSNYSAXZKLG-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.57
Rot. Bonds3

About 5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 2555366) has the molecular formula C16H11N3O2S2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID2555366
Molecular FormulaC16H11N3O2S2
Molecular Weight341.42 g/mol
Exact Mass341.03
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
SMILESCc1cnc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)s1
InChIInChI=1S/C16H11N3O2S2/c1-9-8-17-16(22-9)19-14(20)11-6-7-12(21-11)15-18-10-4-2-3-5-13(10)23-15/h2-8H,1H3,(H,17,19,20)
InChIKeyOZZZSNYSAXZKLG-UHFFFAOYSA-N
XLogP4.57
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide 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 5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide (CID 2555366) is 5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is Cc1cnc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is OZZZSNYSAXZKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S2/c1-9-8-17-16(22-9)19-14(20)11-6-7-12(21-11)15-18-10-4-2-3-5-13(10)23-15/h2-8H,1H3,(H,17,19,20).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2555366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).