N,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

C15H18N2O2S — CID 56684905

IUPACN,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
SMILESCCN(CC)C(=O)C12CCC(=O)N1c1ccccc1S2
InChIInChI=1S/C15H18N2O2S/c1-3-16(4-2)14(19)15-10-9-13(18)17(15)11-7-5-6-8-12(11)20-15/h5-8H,3-4,9-10H2,1-2H3
InChIKeyLGKXMGYMSNEWBR-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.48
Rot. Bonds3

About N,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

N,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide (PubChem CID 56684905) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
PubChem CID56684905
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
SMILESCCN(CC)C(=O)C12CCC(=O)N1c1ccccc1S2
InChIInChI=1S/C15H18N2O2S/c1-3-16(4-2)14(19)15-10-9-13(18)17(15)11-7-5-6-8-12(11)20-15/h5-8H,3-4,9-10H2,1-2H3
InChIKeyLGKXMGYMSNEWBR-UHFFFAOYSA-N
XLogP2.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide?
The IUPAC name of N,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide (CID 56684905) is N,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide.
What is the SMILES notation for N,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide?
The canonical SMILES for N,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide is CCN(CC)C(=O)C12CCC(=O)N1c1ccccc1S2.
What is the InChIKey of N,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide?
The InChIKey is LGKXMGYMSNEWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-16(4-2)14(19)15-10-9-13(18)17(15)11-7-5-6-8-12(11)20-15/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of N,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide?
N,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide is sourced from PubChem (CID 56684905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).