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

C15H18N2O2S — CID 20933884

IUPACN-cyclopropyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
SMILESCC1=NC2c3c(oc(C(=O)NC4CC4)c3C)CCC2S1
InChIInChI=1S/C15H18N2O2S/c1-7-12-10(5-6-11-13(12)16-8(2)20-11)19-14(7)15(18)17-9-3-4-9/h9,11,13H,3-6H2,1-2H3,(H,17,18)
InChIKeyNFPJZWDGEYWPRU-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.00
Rot. Bonds2

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

N-cyclopropyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide (PubChem CID 20933884) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-cyclopropyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
PubChem CID20933884
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-cyclopropyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide
SMILESCC1=NC2c3c(oc(C(=O)NC4CC4)c3C)CCC2S1
InChIInChI=1S/C15H18N2O2S/c1-7-12-10(5-6-11-13(12)16-8(2)20-11)19-14(7)15(18)17-9-3-4-9/h9,11,13H,3-6H2,1-2H3,(H,17,18)
InChIKeyNFPJZWDGEYWPRU-UHFFFAOYSA-N
XLogP3.00
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The IUPAC name of N-cyclopropyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide (CID 20933884) is N-cyclopropyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide.
What is the SMILES notation for N-cyclopropyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The canonical SMILES for N-cyclopropyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide is CC1=NC2c3c(oc(C(=O)NC4CC4)c3C)CCC2S1.
What is the InChIKey of N-cyclopropyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
The InChIKey is NFPJZWDGEYWPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-7-12-10(5-6-11-13(12)16-8(2)20-11)19-14(7)15(18)17-9-3-4-9/h9,11,13H,3-6H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopropyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide?
N-cyclopropyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,8-dimethyl-3a,4,5,8b-tetrahydrofuro[3,2-e][1,3]benzothiazole-7-carboxamide is sourced from PubChem (CID 20933884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).