5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione

C8H7N5O3S — CID 139071561

IUPAC5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione
SMILESCc1cnc(/N=N/C2C(=O)NC(=O)NC2=O)s1
InChIInChI=1S/C8H7N5O3S/c1-3-2-9-8(17-3)13-12-4-5(14)10-7(16)11-6(4)15/h2,4H,1H3,(H2,10,11,14,15,16)/b13-12+
InChIKeyAAMFVTSCXZMSCY-OUKQBFOZSA-N
MW253.24 g/mol
LogP0.27
Rot. Bonds2

About 5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione

5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione (PubChem CID 139071561) has the molecular formula C8H7N5O3S and a molecular weight of 253.24 g/mol. Its IUPAC name is 5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione
PubChem CID139071561
Molecular FormulaC8H7N5O3S
Molecular Weight253.24 g/mol
Exact Mass253.03
IUPAC Name5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione
SMILESCc1cnc(/N=N/C2C(=O)NC(=O)NC2=O)s1
InChIInChI=1S/C8H7N5O3S/c1-3-2-9-8(17-3)13-12-4-5(14)10-7(16)11-6(4)15/h2,4H,1H3,(H2,10,11,14,15,16)/b13-12+
InChIKeyAAMFVTSCXZMSCY-OUKQBFOZSA-N
XLogP0.27
TPSA112.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229459
2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229474
(4S)-N-(5-methyl-1,3-thiazol-2-yl)-2-oxoimidazolidine-4-carboxamide
CID 164629686
5-(2-Thiazolylazo)-barbituric
CID 85667699
N-(5-methyl-1,3-thiazol-2-yl)-4-[(2R)-4-propan-2-ylpiperazine-2-carbonyl]piperazine-1-carboxamide
CID 57656924
N-[5-[(4-acetyl-2-methylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 146665331
2-[4-[(2-Acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]acetamide
CID 175951982
(2R)-2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 1439190
(2S)-2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 1439192
(2S)-2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 1439249
(2R)-2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 1439250
(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 7436817

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione (CID 139071561) is 5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione is Cc1cnc(/N=N/C2C(=O)NC(=O)NC2=O)s1.
What is the InChIKey of 5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is AAMFVTSCXZMSCY-OUKQBFOZSA-N. The full InChI is InChI=1S/C8H7N5O3S/c1-3-2-9-8(17-3)13-12-4-5(14)10-7(16)11-6(4)15/h2,4H,1H3,(H2,10,11,14,15,16)/b13-12+.
What are the key properties of 5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione?
5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 253.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-1,3-thiazol-2-yl)diazenyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 139071561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).