(5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

C15H15N5O2S — CID 94080300

IUPAC(5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=N[C@@H](C)C(=O)N(c3ccccc3)N2)s1
InChIInChI=1S/C15H15N5O2S/c1-9-8-16-15(23-9)18-13(21)12-17-10(2)14(22)20(19-12)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)(H,16,18,21)/t10-/m0/s1
InChIKeyXWRPEAYDVXGBHO-JTQLQIEISA-N
MW329.39 g/mol
LogP1.73
Rot. Bonds3

About (5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide

(5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 94080300) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is (5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound Name(5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID94080300
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name(5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCc1cnc(NC(=O)C2=N[C@@H](C)C(=O)N(c3ccccc3)N2)s1
InChIInChI=1S/C15H15N5O2S/c1-9-8-16-15(23-9)18-13(21)12-17-10(2)14(22)20(19-12)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)(H,16,18,21)/t10-/m0/s1
InChIKeyXWRPEAYDVXGBHO-JTQLQIEISA-N
XLogP1.73
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of (5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 94080300) is (5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for (5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for (5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is Cc1cnc(NC(=O)C2=N[C@@H](C)C(=O)N(c3ccccc3)N2)s1.
What is the InChIKey of (5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is XWRPEAYDVXGBHO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-9-8-16-15(23-9)18-13(21)12-17-10(2)14(22)20(19-12)11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)(H,16,18,21)/t10-/m0/s1.
What are the key properties of (5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
(5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 94080300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).