6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine

C11H11N5S — CID 65348347

IUPAC6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine
SMILESCCn1ncnc1-c1ccc2nc(N)sc2c1
InChIInChI=1S/C11H11N5S/c1-2-16-10(13-6-14-16)7-3-4-8-9(5-7)17-11(12)15-8/h3-6H,2H2,1H3,(H2,12,15)
InChIKeyZDSSUYGNMOEXHJ-UHFFFAOYSA-N
MW245.31 g/mol
LogP2.16
Rot. Bonds2

About 6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine

6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine (PubChem CID 65348347) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine
PubChem CID65348347
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine
SMILESCCn1ncnc1-c1ccc2nc(N)sc2c1
InChIInChI=1S/C11H11N5S/c1-2-16-10(13-6-14-16)7-3-4-8-9(5-7)17-11(12)15-8/h3-6H,2H2,1H3,(H2,12,15)
InChIKeyZDSSUYGNMOEXHJ-UHFFFAOYSA-N
XLogP2.16
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-(2-ethyl-1,2,4-triazol-3-yl)phenol
CID 62697211
6-(3-methylphenyl)-1,3-benzothiazol-2-amine
CID 143885488
6-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 122184482
4-(2-ethyl-1,2,4-triazol-3-yl)phenol
CID 136641819
6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine
CID 114354076
6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine
CID 170567486
6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 122184471
5-(2-ethyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine
CID 62696837
6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine
CID 126700906
6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 119087949
5-ethyl-3-(2-ethyl-1,2,4-triazol-3-yl)thiophen-2-amine
CID 63616303
6-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine
CID 65348821

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine (CID 65348347) is 6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine is CCn1ncnc1-c1ccc2nc(N)sc2c1.
What is the InChIKey of 6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine?
The InChIKey is ZDSSUYGNMOEXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-2-16-10(13-6-14-16)7-3-4-8-9(5-7)17-11(12)15-8/h3-6H,2H2,1H3,(H2,12,15).
What are the key properties of 6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine?
6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine has a molecular weight of 245.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 65348347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).