N-methylselanyl-1,3-thiazol-2-amine

C4H6N2SSe — CID 142317624

IUPACN-methylselanyl-1,3-thiazol-2-amine
SMILESC[Se]Nc1nccs1
InChIInChI=1S/C4H6N2SSe/c1-8-6-4-5-2-3-7-4/h2-3H,1H3,(H,5,6)
InChIKeyNQFPRCMCXRJJND-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.22
Rot. Bonds2

About N-methylselanyl-1,3-thiazol-2-amine

N-methylselanyl-1,3-thiazol-2-amine (PubChem CID 142317624) has the molecular formula C4H6N2SSe and a molecular weight of 193.13 g/mol. Its IUPAC name is N-methylselanyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methylselanyl-1,3-thiazol-2-amine
PubChem CID142317624
Molecular FormulaC4H6N2SSe
Molecular Weight193.13 g/mol
Exact Mass193.94
IUPAC NameN-methylselanyl-1,3-thiazol-2-amine
SMILESC[Se]Nc1nccs1
InChIInChI=1S/C4H6N2SSe/c1-8-6-4-5-2-3-7-4/h2-3H,1H3,(H,5,6)
InChIKeyNQFPRCMCXRJJND-UHFFFAOYSA-N
XLogP1.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1,3-thiazol-2-amine;dihydrochloride
CID 87242270
methane;N-methyl-1,3-thiazol-2-amine
CID 157106856
N-propan-2-yl-1,3-thiazol-2-amine
CID 2160964
N-(2-chloropropyl)-1,3-thiazol-2-amine
CID 65027252
N-(3-methylpentan-3-yl)-1,3-thiazol-2-amine
CID 106329523
acetylene;propane;N-(1,3-thiazol-2-yl)formamide
CID 143752029
2-N-methyl-1-N-(1,3-thiazol-2-yl)propane-1,2-diamine
CID 130505496
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220
N-(3-methyloxiran-2-yl)-1,3-thiazol-2-amine
CID 163452036
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine
CID 104828727

Frequently Asked Questions

What is the IUPAC name of N-methylselanyl-1,3-thiazol-2-amine?
The IUPAC name of N-methylselanyl-1,3-thiazol-2-amine (CID 142317624) is N-methylselanyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-methylselanyl-1,3-thiazol-2-amine?
The canonical SMILES for N-methylselanyl-1,3-thiazol-2-amine is C[Se]Nc1nccs1.
What is the InChIKey of N-methylselanyl-1,3-thiazol-2-amine?
The InChIKey is NQFPRCMCXRJJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2SSe/c1-8-6-4-5-2-3-7-4/h2-3H,1H3,(H,5,6).
What are the key properties of N-methylselanyl-1,3-thiazol-2-amine?
N-methylselanyl-1,3-thiazol-2-amine has a molecular weight of 193.13 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylselanyl-1,3-thiazol-2-amine is sourced from PubChem (CID 142317624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).