1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine

C8H10N4S2 — CID 14002393

IUPAC1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine
SMILESCCS1=NC(N)=NC(c2cccs2)=N1
InChIInChI=1S/C8H10N4S2/c1-2-14-11-7(10-8(9)12-14)6-4-3-5-13-6/h3-5H,2H2,1H3,(H2,9,10,11,12)
InChIKeyFAHGXDMXVSTABE-UHFFFAOYSA-N
MW226.33 g/mol
LogP1.56
Rot. Bonds2

About 1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine

1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine (PubChem CID 14002393) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine
PubChem CID14002393
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine
SMILESCCS1=NC(N)=NC(c2cccs2)=N1
InChIInChI=1S/C8H10N4S2/c1-2-14-11-7(10-8(9)12-14)6-4-3-5-13-6/h3-5H,2H2,1H3,(H2,9,10,11,12)
InChIKeyFAHGXDMXVSTABE-UHFFFAOYSA-N
XLogP1.56
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine?
The IUPAC name of 1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine (CID 14002393) is 1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine.
What is the SMILES notation for 1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine?
The canonical SMILES for 1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine is CCS1=NC(N)=NC(c2cccs2)=N1.
What is the InChIKey of 1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine?
The InChIKey is FAHGXDMXVSTABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-2-14-11-7(10-8(9)12-14)6-4-3-5-13-6/h3-5H,2H2,1H3,(H2,9,10,11,12).
What are the key properties of 1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine?
1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine has a molecular weight of 226.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-thiophen-2-yl-1lambda4-thia-2,4,6-triazacyclohexa-1,3,5-trien-3-amine is sourced from PubChem (CID 14002393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).