methyl(1,3-thiazol-2-ylmethyl)diazene

C5H7N3S — CID 123279555

IUPACmethyl(1,3-thiazol-2-ylmethyl)diazene
SMILESC/N=N/Cc1nccs1
InChIInChI=1S/C5H7N3S/c1-6-8-4-5-7-2-3-9-5/h2-3H,4H2,1H3/b8-6+
InChIKeyLCUKDCVESBGQKO-SOFGYWHQSA-N
MW141.20 g/mol
LogP1.73
Rot. Bonds2

About methyl(1,3-thiazol-2-ylmethyl)diazene

methyl(1,3-thiazol-2-ylmethyl)diazene (PubChem CID 123279555) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is methyl(1,3-thiazol-2-ylmethyl)diazene.

Molecular Properties

Compound Namemethyl(1,3-thiazol-2-ylmethyl)diazene
PubChem CID123279555
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Namemethyl(1,3-thiazol-2-ylmethyl)diazene
SMILESC/N=N/Cc1nccs1
InChIInChI=1S/C5H7N3S/c1-6-8-4-5-7-2-3-9-5/h2-3H,4H2,1H3/b8-6+
InChIKeyLCUKDCVESBGQKO-SOFGYWHQSA-N
XLogP1.73
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N'-(1,3-thiazol-2-ylmethyl)propanimidamide
CID 63177184
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
N'-(1,3-thiazol-2-ylmethyl)butanimidamide
CID 63177124
ethane;2-ethyl-1,3-thiazole;iodomethane
CID 168945349
1-propan-2-yl-2-(1,3-thiazol-2-ylmethyl)guanidine
CID 62363334
methyl-[[3-(1,3-thiazol-2-ylmethyl)-5-(trifluoromethyl)pyrazol-1-yl]methyl]diazene
CID 143483986
2-(chloromethyl)-1,3-thiazole;hydrochloride
CID 23043559
N,N-bis(1,3-thiazol-2-ylmethyl)ethanamine
CID 70991421
2-(2-methoxyethyl)-1,3-thiazole
CID 59275905
[4-(1,3-oxazol-5-yl)phenyl]-(1,3-thiazol-2-ylmethyl)diazene
CID 91590739
2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine
CID 62407842
2-(1,3-thiazol-2-yl)acetonitrile
CID 4913352

Frequently Asked Questions

What is the IUPAC name of methyl(1,3-thiazol-2-ylmethyl)diazene?
The IUPAC name of methyl(1,3-thiazol-2-ylmethyl)diazene (CID 123279555) is methyl(1,3-thiazol-2-ylmethyl)diazene.
What is the SMILES notation for methyl(1,3-thiazol-2-ylmethyl)diazene?
The canonical SMILES for methyl(1,3-thiazol-2-ylmethyl)diazene is C/N=N/Cc1nccs1.
What is the InChIKey of methyl(1,3-thiazol-2-ylmethyl)diazene?
The InChIKey is LCUKDCVESBGQKO-SOFGYWHQSA-N. The full InChI is InChI=1S/C5H7N3S/c1-6-8-4-5-7-2-3-9-5/h2-3H,4H2,1H3/b8-6+.
What are the key properties of methyl(1,3-thiazol-2-ylmethyl)diazene?
methyl(1,3-thiazol-2-ylmethyl)diazene has a molecular weight of 141.20 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(1,3-thiazol-2-ylmethyl)diazene is sourced from PubChem (CID 123279555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).