N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide

C14H11N3O3S — CID 958627

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C14H11N3O3S/c1-8(18)15-9-4-5-10-12(7-9)21-14(16-10)17-13(19)11-3-2-6-20-11/h2-7H,1H3,(H,15,18)(H,16,17,19)
InChIKeyFLISPZKWFXOOAI-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.10
Rot. Bonds3

About N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 958627) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID958627
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C14H11N3O3S/c1-8(18)15-9-4-5-10-12(7-9)21-14(16-10)17-13(19)11-3-2-6-20-11/h2-7H,1H3,(H,15,18)(H,16,17,19)
InChIKeyFLISPZKWFXOOAI-UHFFFAOYSA-N
XLogP3.10
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 958627) is N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is FLISPZKWFXOOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-8(18)15-9-4-5-10-12(7-9)21-14(16-10)17-13(19)11-3-2-6-20-11/h2-7H,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 958627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).