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

C15H12N4O2S — CID 15604761

IUPAC1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2cc3n(c2c1)CCNC3=O
InChIInChI=1S/C15H12N4O2S/c20-13(18-15-17-4-6-22-15)10-2-1-9-7-12-14(21)16-3-5-19(12)11(9)8-10/h1-2,4,6-8H,3,5H2,(H,16,21)(H,17,18,20)
InChIKeyRWBKCLCZIDTJJQ-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.09
Rot. Bonds2

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

1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 15604761) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID15604761
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESO=C(Nc1nccs1)c1ccc2cc3n(c2c1)CCNC3=O
InChIInChI=1S/C15H12N4O2S/c20-13(18-15-17-4-6-22-15)10-2-1-9-7-12-14(21)16-3-5-19(12)11(9)8-10/h1-2,4,6-8H,3,5H2,(H,16,21)(H,17,18,20)
InChIKeyRWBKCLCZIDTJJQ-UHFFFAOYSA-N
XLogP2.09
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of 1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 15604761) is 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 1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for 1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is O=C(Nc1nccs1)c1ccc2cc3n(c2c1)CCNC3=O.
What is the InChIKey of 1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is RWBKCLCZIDTJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c20-13(18-15-17-4-6-22-15)10-2-1-9-7-12-14(21)16-3-5-19(12)11(9)8-10/h1-2,4,6-8H,3,5H2,(H,16,21)(H,17,18,20).
What are the key properties of 1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 312.35 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 15604761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).