2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

C10H11N5O2S2 — CID 136687567

IUPAC2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1nnc(SC(C)C(=O)Nc2nccs2)[nH]c1=O
InChIInChI=1S/C10H11N5O2S2/c1-5-7(16)12-10(15-14-5)19-6(2)8(17)13-9-11-3-4-18-9/h3-4,6H,1-2H3,(H,11,13,17)(H,12,15,16)
InChIKeyOXTHJCBXSRSCML-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.05
Rot. Bonds4

About 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide

2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 136687567) has the molecular formula C10H11N5O2S2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID136687567
Molecular FormulaC10H11N5O2S2
Molecular Weight297.37 g/mol
Exact Mass297.04
IUPAC Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1nnc(SC(C)C(=O)Nc2nccs2)[nH]c1=O
InChIInChI=1S/C10H11N5O2S2/c1-5-7(16)12-10(15-14-5)19-6(2)8(17)13-9-11-3-4-18-9/h3-4,6H,1-2H3,(H,11,13,17)(H,12,15,16)
InChIKeyOXTHJCBXSRSCML-UHFFFAOYSA-N
XLogP1.05
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 2994565
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenylpropanamide
CID 135417581
(2R)-2-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 2232967
2-(1H-benzimidazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)propanamide
CID 6500981
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 17380333
(2R)-N-(4-ethylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 135552583
ethyl 4-methyl-2-[[(2S)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 135925951
N-(3-bromophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 136687558
(2S)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 7394235
ethyl 4-[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanoylamino]benzoate
CID 136687644
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 135552557
(2R)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 94188894

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide (CID 136687567) is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide is Cc1nnc(SC(C)C(=O)Nc2nccs2)[nH]c1=O.
What is the InChIKey of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is OXTHJCBXSRSCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S2/c1-5-7(16)12-10(15-14-5)19-6(2)8(17)13-9-11-3-4-18-9/h3-4,6H,1-2H3,(H,11,13,17)(H,12,15,16).
What are the key properties of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide?
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 297.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 136687567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).