[4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine

C7H8N6OS2 — CID 80923215

IUPAC[4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Sc2nccs2)n1
InChIInChI=1S/C7H8N6OS2/c1-14-5-10-4(13-8)11-6(12-5)16-7-9-2-3-15-7/h2-3H,8H2,1H3,(H,10,11,12,13)
InChIKeyNVXYMAVPQDKUJF-UHFFFAOYSA-N
MW256.32 g/mol
LogP0.77
Rot. Bonds4

About [4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine

[4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80923215) has the molecular formula C7H8N6OS2 and a molecular weight of 256.32 g/mol. Its IUPAC name is [4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80923215
Molecular FormulaC7H8N6OS2
Molecular Weight256.32 g/mol
Exact Mass256.02
IUPAC Name[4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
SMILESCOc1nc(NN)nc(Sc2nccs2)n1
InChIInChI=1S/C7H8N6OS2/c1-14-5-10-4(13-8)11-6(12-5)16-7-9-2-3-15-7/h2-3H,8H2,1H3,(H,10,11,12,13)
InChIKeyNVXYMAVPQDKUJF-UHFFFAOYSA-N
XLogP0.77
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80885392
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]-1,3-thiazole
CID 62859542
4-ethoxy-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80886405
(4-methoxy-6-pyridin-4-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80926907
[4-(4-tert-butylphenyl)sulfanyl-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80925635
[4-propoxy-6-(1,3,4-thiadiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
CID 80931173
N-[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]phenyl]acetamide
CID 80921163
(4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924545
2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 116798231
6-methoxy-2-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80844454
(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924638
6-methoxy-2-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80807450

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine (CID 80923215) is [4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine is COc1nc(NN)nc(Sc2nccs2)n1.
What is the InChIKey of [4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is NVXYMAVPQDKUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6OS2/c1-14-5-10-4(13-8)11-6(12-5)16-7-9-2-3-15-7/h2-3H,8H2,1H3,(H,10,11,12,13).
What are the key properties of [4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
[4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 256.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80923215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).