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

C18H12N2O3S — CID 17494812

IUPACN-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide
SMILESO=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccoc1
InChIInChI=1S/C18H12N2O3S/c21-17(12-8-9-22-11-12)20-18-19-15-7-6-14(10-16(15)24-18)23-13-4-2-1-3-5-13/h1-11H,(H,19,20,21)
InChIKeyBOZSXIZLGXMKNT-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.93
Rot. Bonds4

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

N-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide (PubChem CID 17494812) has the molecular formula C18H12N2O3S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide
PubChem CID17494812
Molecular FormulaC18H12N2O3S
Molecular Weight336.37 g/mol
Exact Mass336.06
IUPAC NameN-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide
SMILESO=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccoc1
InChIInChI=1S/C18H12N2O3S/c21-17(12-8-9-22-11-12)20-18-19-15-7-6-14(10-16(15)24-18)23-13-4-2-1-3-5-13/h1-11H,(H,19,20,21)
InChIKeyBOZSXIZLGXMKNT-UHFFFAOYSA-N
XLogP4.93
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide?
The IUPAC name of N-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide (CID 17494812) is N-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide.
What is the SMILES notation for N-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide?
The canonical SMILES for N-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide is O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccoc1.
What is the InChIKey of N-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide?
The InChIKey is BOZSXIZLGXMKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3S/c21-17(12-8-9-22-11-12)20-18-19-15-7-6-14(10-16(15)24-18)23-13-4-2-1-3-5-13/h1-11H,(H,19,20,21).
What are the key properties of N-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide?
N-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-phenoxy-1,3-benzothiazol-2-yl)furan-3-carboxamide is sourced from PubChem (CID 17494812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).