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

C14H16N2O2S — CID 42924795

IUPAC1-oxo-N-propyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
SMILESCCCNC(=O)C12CCC(=O)N1c1ccccc1S2
InChIInChI=1S/C14H16N2O2S/c1-2-9-15-13(18)14-8-7-12(17)16(14)10-5-3-4-6-11(10)19-14/h3-6H,2,7-9H2,1H3,(H,15,18)
InChIKeyCTCPEPDDGZEYLU-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.14
Rot. Bonds3

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

1-oxo-N-propyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide (PubChem CID 42924795) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-oxo-N-propyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide.

Molecular Properties

Compound Name1-oxo-N-propyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
PubChem CID42924795
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-oxo-N-propyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide
SMILESCCCNC(=O)C12CCC(=O)N1c1ccccc1S2
InChIInChI=1S/C14H16N2O2S/c1-2-9-15-13(18)14-8-7-12(17)16(14)10-5-3-4-6-11(10)19-14/h3-6H,2,7-9H2,1H3,(H,15,18)
InChIKeyCTCPEPDDGZEYLU-UHFFFAOYSA-N
XLogP2.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-propyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide?
The IUPAC name of 1-oxo-N-propyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide (CID 42924795) is 1-oxo-N-propyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide.
What is the SMILES notation for 1-oxo-N-propyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide?
The canonical SMILES for 1-oxo-N-propyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide is CCCNC(=O)C12CCC(=O)N1c1ccccc1S2.
What is the InChIKey of 1-oxo-N-propyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide?
The InChIKey is CTCPEPDDGZEYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-2-9-15-13(18)14-8-7-12(17)16(14)10-5-3-4-6-11(10)19-14/h3-6H,2,7-9H2,1H3,(H,15,18).
What are the key properties of 1-oxo-N-propyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide?
1-oxo-N-propyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-propyl-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide is sourced from PubChem (CID 42924795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).