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

C13H14N2O2S — CID 18196611

IUPAC2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C13H14N2O2S/c1-8-9(6-7-17-8)12(16)15-13-14-10-4-2-3-5-11(10)18-13/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyJBOWRLGLXMXUDV-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.18
Rot. Bonds2

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

2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-3-carboxamide (PubChem CID 18196611) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-3-carboxamide
PubChem CID18196611
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C13H14N2O2S/c1-8-9(6-7-17-8)12(16)15-13-14-10-4-2-3-5-11(10)18-13/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyJBOWRLGLXMXUDV-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 2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-3-carboxamide?
The IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-3-carboxamide (CID 18196611) is 2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-3-carboxamide is Cc1occc1C(=O)Nc1nc2c(s1)CCCC2.
What is the InChIKey of 2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-3-carboxamide?
The InChIKey is JBOWRLGLXMXUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8-9(6-7-17-8)12(16)15-13-14-10-4-2-3-5-11(10)18-13/h6-7H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-3-carboxamide?
2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-3-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 2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)furan-3-carboxamide is sourced from PubChem (CID 18196611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).