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

C17H22N2O2S — CID 20933874

IUPACN-cyclopentyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
SMILESCC1=NC2c3c(oc(C(=O)NC4CCCC4)c3C)CCC2S1
InChIInChI=1S/C17H22N2O2S/c1-9-14-12(7-8-13-15(14)18-10(2)22-13)21-16(9)17(20)19-11-5-3-4-6-11/h11,13,15H,3-8H2,1-2H3,(H,19,20)
InChIKeyHCNIYWRDUZPBKT-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.78
Rot. Bonds2

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

N-cyclopentyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide (PubChem CID 20933874) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-cyclopentyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
PubChem CID20933874
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-cyclopentyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
SMILESCC1=NC2c3c(oc(C(=O)NC4CCCC4)c3C)CCC2S1
InChIInChI=1S/C17H22N2O2S/c1-9-14-12(7-8-13-15(14)18-10(2)22-13)21-16(9)17(20)19-11-5-3-4-6-11/h11,13,15H,3-8H2,1-2H3,(H,19,20)
InChIKeyHCNIYWRDUZPBKT-UHFFFAOYSA-N
XLogP3.78
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The IUPAC name of N-cyclopentyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide (CID 20933874) is N-cyclopentyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide.
What is the SMILES notation for N-cyclopentyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The canonical SMILES for N-cyclopentyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide is CC1=NC2c3c(oc(C(=O)NC4CCCC4)c3C)CCC2S1.
What is the InChIKey of N-cyclopentyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The InChIKey is HCNIYWRDUZPBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-9-14-12(7-8-13-15(14)18-10(2)22-13)21-16(9)17(20)19-11-5-3-4-6-11/h11,13,15H,3-8H2,1-2H3,(H,19,20).
What are the key properties of N-cyclopentyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
N-cyclopentyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide is sourced from PubChem (CID 20933874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).