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

C16H17N5O2S — CID 43072967

IUPAC5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCc1csc(CNC(=O)C2=NC(C)C(=O)N(c3ccccc3)N2)n1
InChIInChI=1S/C16H17N5O2S/c1-10-9-24-13(18-10)8-17-15(22)14-19-11(2)16(23)21(20-14)12-6-4-3-5-7-12/h3-7,9,11H,8H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyOXACDUOGZRWOMY-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.41
Rot. Bonds4

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

5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (PubChem CID 43072967) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
PubChem CID43072967
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
SMILESCc1csc(CNC(=O)C2=NC(C)C(=O)N(c3ccccc3)N2)n1
InChIInChI=1S/C16H17N5O2S/c1-10-9-24-13(18-10)8-17-15(22)14-19-11(2)16(23)21(20-14)12-6-4-3-5-7-12/h3-7,9,11H,8H2,1-2H3,(H,17,22)(H,19,20)
InChIKeyOXACDUOGZRWOMY-UHFFFAOYSA-N
XLogP1.41
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(3-nitrophenyl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 86853274
(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
5-methyl-6-oxo-1-phenyl-N-quinolin-6-yl-2,5-dihydro-1,2,4-triazine-3-carboxamide
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CID 60722044
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide
CID 136516476
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
CID 110467008
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CID 37157221
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315920
2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 131895425
2-(2-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The IUPAC name of 5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide (CID 43072967) is 5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is Cc1csc(CNC(=O)C2=NC(C)C(=O)N(c3ccccc3)N2)n1.
What is the InChIKey of 5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
The InChIKey is OXACDUOGZRWOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-10-9-24-13(18-10)8-17-15(22)14-19-11(2)16(23)21(20-14)12-6-4-3-5-7-12/h3-7,9,11H,8H2,1-2H3,(H,17,22)(H,19,20).
What are the key properties of 5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide?
5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carboxamide is sourced from PubChem (CID 43072967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).