4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

C16H14N4O2S — CID 15604762

IUPAC4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)cc3n21
InChIInChI=1S/C16H14N4O2S/c1-9-8-18-15(22)13-6-10-2-3-11(7-12(10)20(9)13)14(21)19-16-17-4-5-23-16/h2-7,9H,8H2,1H3,(H,18,22)(H,17,19,21)
InChIKeyIAIVYPXMFRMYCL-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.65
Rot. Bonds2

About 4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide

4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 15604762) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID15604762
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESCC1CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)cc3n21
InChIInChI=1S/C16H14N4O2S/c1-9-8-18-15(22)13-6-10-2-3-11(7-12(10)20(9)13)14(21)19-16-17-4-5-23-16/h2-7,9H,8H2,1H3,(H,18,22)(H,17,19,21)
InChIKeyIAIVYPXMFRMYCL-UHFFFAOYSA-N
XLogP2.65
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of 4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 15604762) is 4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.
What is the SMILES notation for 4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for 4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is CC1CNC(=O)c2cc3ccc(C(=O)Nc4nccs4)cc3n21.
What is the InChIKey of 4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is IAIVYPXMFRMYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-9-8-18-15(22)13-6-10-2-3-11(7-12(10)20(9)13)14(21)19-16-17-4-5-23-16/h2-7,9H,8H2,1H3,(H,18,22)(H,17,19,21).
What are the key properties of 4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 15604762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).