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

C14H11N3O3S — CID 1084680

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)furan-2-carboxamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)c3ccco3)cc2s1
InChIInChI=1S/C14H11N3O3S/c1-8(18)15-14-17-10-5-4-9(7-12(10)21-14)16-13(19)11-3-2-6-20-11/h2-7H,1H3,(H,16,19)(H,15,17,18)
InChIKeyQWSVKKATFAPISN-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.10
Rot. Bonds3

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

N-(2-acetamido-1,3-benzothiazol-6-yl)furan-2-carboxamide (PubChem CID 1084680) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)furan-2-carboxamide
PubChem CID1084680
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)furan-2-carboxamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)c3ccco3)cc2s1
InChIInChI=1S/C14H11N3O3S/c1-8(18)15-14-17-10-5-4-9(7-12(10)21-14)16-13(19)11-3-2-6-20-11/h2-7H,1H3,(H,16,19)(H,15,17,18)
InChIKeyQWSVKKATFAPISN-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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Related Compounds

N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844341
N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 944851
N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 952238
N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 958627
N-(6-acetamido-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 3157809
N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 618279
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide
CID 4646592
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 702340
5-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 795005

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)furan-2-carboxamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)furan-2-carboxamide (CID 1084680) is N-(2-acetamido-1,3-benzothiazol-6-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)furan-2-carboxamide is CC(=O)Nc1nc2ccc(NC(=O)c3ccco3)cc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)furan-2-carboxamide?
The InChIKey is QWSVKKATFAPISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-8(18)15-14-17-10-5-4-9(7-12(10)21-14)16-13(19)11-3-2-6-20-11/h2-7H,1H3,(H,16,19)(H,15,17,18).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)furan-2-carboxamide?
N-(2-acetamido-1,3-benzothiazol-6-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-(2-acetamido-1,3-benzothiazol-6-yl)furan-2-carboxamide is sourced from PubChem (CID 1084680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).