5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine

C7H9N5O2S2 — CID 82220973

IUPAC5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine
SMILESCCS(=O)(=O)c1nnn(-c2nccs2)c1N
InChIInChI=1S/C7H9N5O2S2/c1-2-16(13,14)6-5(8)12(11-10-6)7-9-3-4-15-7/h3-4H,2,8H2,1H3
InChIKeyYMXJXOWXNUOFQI-UHFFFAOYSA-N
MW259.32 g/mol
LogP0.10
Rot. Bonds3

About 5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine

5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine (PubChem CID 82220973) has the molecular formula C7H9N5O2S2 and a molecular weight of 259.32 g/mol. Its IUPAC name is 5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine
PubChem CID82220973
Molecular FormulaC7H9N5O2S2
Molecular Weight259.32 g/mol
Exact Mass259.02
IUPAC Name5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine
SMILESCCS(=O)(=O)c1nnn(-c2nccs2)c1N
InChIInChI=1S/C7H9N5O2S2/c1-2-16(13,14)6-5(8)12(11-10-6)7-9-3-4-15-7/h3-4H,2,8H2,1H3
InChIKeyYMXJXOWXNUOFQI-UHFFFAOYSA-N
XLogP0.10
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

propan-2-yl 5-amino-1-(1,3-thiazol-2-yl)triazole-4-carboxylate
CID 82220971
ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate
CID 14051868
5-propyl-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220778
[5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220922
5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazole-4-carbaldehyde
CID 82220796
[5-(methoxymethyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220951
3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82878905
3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 58976457
2-(1,3-thiazol-2-yl)pyrazol-3-amine
CID 82879868
3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine
CID 61176031
N,N-diethyl-4-(1,3-thiazol-2-yl)piperazine-1-sulfonamide
CID 86914969
4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82880631

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine?
The IUPAC name of 5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine (CID 82220973) is 5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine.
What is the SMILES notation for 5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine?
The canonical SMILES for 5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine is CCS(=O)(=O)c1nnn(-c2nccs2)c1N.
What is the InChIKey of 5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine?
The InChIKey is YMXJXOWXNUOFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S2/c1-2-16(13,14)6-5(8)12(11-10-6)7-9-3-4-15-7/h3-4H,2,8H2,1H3.
What are the key properties of 5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine?
5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine has a molecular weight of 259.32 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine is sourced from PubChem (CID 82220973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).