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

C16H15N5O2S — CID 15604765

IUPAC(3S)-3-(aminomethyl)-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESNC[C@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1
InChIInChI=1S/C16H15N5O2S/c17-7-11-8-21-12-6-10(14(22)20-16-18-3-4-24-16)2-1-9(12)5-13(21)15(23)19-11/h1-6,11H,7-8,17H2,(H,19,23)(H,18,20,22)/t11-/m0/s1
InChIKeyZRXHOYBSKMMSEW-NSHDSACASA-N
MW341.40 g/mol
LogP1.42
Rot. Bonds3

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

(3S)-3-(aminomethyl)-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (PubChem CID 15604765) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
PubChem CID15604765
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name(3S)-3-(aminomethyl)-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide
SMILESNC[C@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1
InChIInChI=1S/C16H15N5O2S/c17-7-11-8-21-12-6-10(14(22)20-16-18-3-4-24-16)2-1-9(12)5-13(21)15(23)19-11/h1-6,11H,7-8,17H2,(H,19,23)(H,18,20,22)/t11-/m0/s1
InChIKeyZRXHOYBSKMMSEW-NSHDSACASA-N
XLogP1.42
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(aminomethyl)-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The IUPAC name of (3S)-3-(aminomethyl)-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide (CID 15604765) is (3S)-3-(aminomethyl)-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 (3S)-3-(aminomethyl)-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The canonical SMILES for (3S)-3-(aminomethyl)-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is NC[C@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1.
What is the InChIKey of (3S)-3-(aminomethyl)-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
The InChIKey is ZRXHOYBSKMMSEW-NSHDSACASA-N. The full InChI is InChI=1S/C16H15N5O2S/c17-7-11-8-21-12-6-10(14(22)20-16-18-3-4-24-16)2-1-9(12)5-13(21)15(23)19-11/h1-6,11H,7-8,17H2,(H,19,23)(H,18,20,22)/t11-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide?
(3S)-3-(aminomethyl)-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(aminomethyl)-1-oxo-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrazino[1,2-a]indole-7-carboxamide is sourced from PubChem (CID 15604765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).