N,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide

C13H16N2O2S — CID 53006703

IUPACN,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
SMILESCNC(=O)c1oc2c(c1C)C1N=C(C)SC1CC2
InChIInChI=1S/C13H16N2O2S/c1-6-10-8(17-12(6)13(16)14-3)4-5-9-11(10)15-7(2)18-9/h9,11H,4-5H2,1-3H3,(H,14,16)
InChIKeyXCTWZYABBYAEQT-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.47
Rot. Bonds1

About N,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide

N,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide (PubChem CID 53006703) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide.

Molecular Properties

Compound NameN,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
PubChem CID53006703
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
SMILESCNC(=O)c1oc2c(c1C)C1N=C(C)SC1CC2
InChIInChI=1S/C13H16N2O2S/c1-6-10-8(17-12(6)13(16)14-3)4-5-9-11(10)15-7(2)18-9/h9,11H,4-5H2,1-3H3,(H,14,16)
InChIKeyXCTWZYABBYAEQT-UHFFFAOYSA-N
XLogP2.47
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The IUPAC name of N,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide (CID 53006703) is N,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide.
What is the SMILES notation for N,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The canonical SMILES for N,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide is CNC(=O)c1oc2c(c1C)C1N=C(C)SC1CC2.
What is the InChIKey of N,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The InChIKey is XCTWZYABBYAEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-6-10-8(17-12(6)13(16)14-3)4-5-9-11(10)15-7(2)18-9/h9,11H,4-5H2,1-3H3,(H,14,16).
What are the key properties of N,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
N,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,8-trimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide is sourced from PubChem (CID 53006703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).