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

C16H16N2O2S — CID 2066730

IUPACN-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCCCCc1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C16H16N2O2S/c1-2-3-5-11-7-8-12-14(10-11)21-16(17-12)18-15(19)13-6-4-9-20-13/h4,6-10H,2-3,5H2,1H3,(H,17,18,19)
InChIKeyLCCALNHRVSPICC-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.48
Rot. Bonds5

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

N-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 2066730) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID2066730
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCCCCc1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C16H16N2O2S/c1-2-3-5-11-7-8-12-14(10-11)21-16(17-12)18-15(19)13-6-4-9-20-13/h4,6-10H,2-3,5H2,1H3,(H,17,18,19)
InChIKeyLCCALNHRVSPICC-UHFFFAOYSA-N
XLogP4.48
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 2066730) is N-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is CCCCc1ccc2nc(NC(=O)c3ccco3)sc2c1.
What is the InChIKey of N-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is LCCALNHRVSPICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-2-3-5-11-7-8-12-14(10-11)21-16(17-12)18-15(19)13-6-4-9-20-13/h4,6-10H,2-3,5H2,1H3,(H,17,18,19).
What are the key properties of N-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2066730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).