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

C13H14N2O2S — CID 841544

IUPAC5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)CCCC3)o1
InChIInChI=1S/C13H14N2O2S/c1-8-6-7-10(17-8)12(16)15-13-14-9-4-2-3-5-11(9)18-13/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyHHHKLXMFVXBOOO-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.18
Rot. Bonds2

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

5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 841544) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID841544
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nc3c(s2)CCCC3)o1
InChIInChI=1S/C13H14N2O2S/c1-8-6-7-10(17-8)12(16)15-13-14-9-4-2-3-5-11(9)18-13/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyHHHKLXMFVXBOOO-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 841544) is 5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide is Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3)o1.
What is the InChIKey of 5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is HHHKLXMFVXBOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-6-7-10(17-8)12(16)15-13-14-9-4-2-3-5-11(9)18-13/h6-7H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 262.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 841544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).