6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine

C12H10N6S2 — CID 114354076

IUPAC6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine
SMILESCCc1nnc2sc(-c3ccc4nc(N)sc4c3)nn12
InChIInChI=1S/C12H10N6S2/c1-2-9-15-16-12-18(9)17-10(20-12)6-3-4-7-8(5-6)19-11(13)14-7/h3-5H,2H2,1H3,(H2,13,14)
InChIKeyOMMGXKOYQXCSIP-UHFFFAOYSA-N
MW302.39 g/mol
LogP2.61
Rot. Bonds2

About 6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine

6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine (PubChem CID 114354076) has the molecular formula C12H10N6S2 and a molecular weight of 302.39 g/mol. Its IUPAC name is 6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine
PubChem CID114354076
Molecular FormulaC12H10N6S2
Molecular Weight302.39 g/mol
Exact Mass302.04
IUPAC Name6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine
SMILESCCc1nnc2sc(-c3ccc4nc(N)sc4c3)nn12
InChIInChI=1S/C12H10N6S2/c1-2-9-15-16-12-18(9)17-10(20-12)6-3-4-7-8(5-6)19-11(13)14-7/h3-5H,2H2,1H3,(H2,13,14)
InChIKeyOMMGXKOYQXCSIP-UHFFFAOYSA-N
XLogP2.61
TPSA81.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 952391
[3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanamine
CID 82048318
3-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzoic acid
CID 114352513
N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]-3,4-dimethylbenzamide
CID 3812987
N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methylphenyl]benzamide
CID 5025406
2-bromo-5-[3-(methoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]aniline
CID 107813646
3-ethyl-6-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2992190
6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine
CID 65348347
2-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136991481
N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]propanamide
CID 17176872
N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]benzamide
CID 17176810
N-[5-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-2-methoxyphenyl]-2-methylpropanamide
CID 17176877

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine (CID 114354076) is 6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine is CCc1nnc2sc(-c3ccc4nc(N)sc4c3)nn12.
What is the InChIKey of 6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine?
The InChIKey is OMMGXKOYQXCSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6S2/c1-2-9-15-16-12-18(9)17-10(20-12)6-3-4-7-8(5-6)19-11(13)14-7/h3-5H,2H2,1H3,(H2,13,14).
What are the key properties of 6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine?
6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine has a molecular weight of 302.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114354076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).