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

C14H18N2O2S — CID 53006702

IUPACN-ethyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
SMILESCCNC(=O)c1oc2c(c1C)C1N=C(C)SC1CC2
InChIInChI=1S/C14H18N2O2S/c1-4-15-14(17)13-7(2)11-9(18-13)5-6-10-12(11)16-8(3)19-10/h10,12H,4-6H2,1-3H3,(H,15,17)
InChIKeyYICDMUZYCHSGBH-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.86
Rot. Bonds2

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

N-ethyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide (PubChem CID 53006702) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-ethyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
PubChem CID53006702
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-ethyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
SMILESCCNC(=O)c1oc2c(c1C)C1N=C(C)SC1CC2
InChIInChI=1S/C14H18N2O2S/c1-4-15-14(17)13-7(2)11-9(18-13)5-6-10-12(11)16-8(3)19-10/h10,12H,4-6H2,1-3H3,(H,15,17)
InChIKeyYICDMUZYCHSGBH-UHFFFAOYSA-N
XLogP2.86
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The IUPAC name of N-ethyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide (CID 53006702) is N-ethyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide.
What is the SMILES notation for N-ethyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The canonical SMILES for N-ethyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide is CCNC(=O)c1oc2c(c1C)C1N=C(C)SC1CC2.
What is the InChIKey of N-ethyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The InChIKey is YICDMUZYCHSGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-15-14(17)13-7(2)11-9(18-13)5-6-10-12(11)16-8(3)19-10/h10,12H,4-6H2,1-3H3,(H,15,17).
What are the key properties of N-ethyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
N-ethyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide is sourced from PubChem (CID 53006702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).