N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide

C13H14N2O2S — CID 2950423

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCC1CCc2nc(NC(=O)c3ccco3)sc2C1
InChIInChI=1S/C13H14N2O2S/c1-8-4-5-9-11(7-8)18-13(14-9)15-12(16)10-3-2-6-17-10/h2-3,6,8H,4-5,7H2,1H3,(H,14,15,16)
InChIKeySOZLXNBXSKYFRJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.11
Rot. Bonds2

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 2950423) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID2950423
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCC1CCc2nc(NC(=O)c3ccco3)sc2C1
InChIInChI=1S/C13H14N2O2S/c1-8-4-5-9-11(7-8)18-13(14-9)15-12(16)10-3-2-6-17-10/h2-3,6,8H,4-5,7H2,1H3,(H,14,15,16)
InChIKeySOZLXNBXSKYFRJ-UHFFFAOYSA-N
XLogP3.11
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 2950423) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide is CC1CCc2nc(NC(=O)c3ccco3)sc2C1.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is SOZLXNBXSKYFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-4-5-9-11(7-8)18-13(14-9)15-12(16)10-3-2-6-17-10/h2-3,6,8H,4-5,7H2,1H3,(H,14,15,16).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2950423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).