3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine

C9H14N6S2 — CID 133443657

IUPAC3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine
SMILESCCc1nnc(Sc2nc(C(C)C)ns2)n1N
InChIInChI=1S/C9H14N6S2/c1-4-6-12-13-8(15(6)10)16-9-11-7(5(2)3)14-17-9/h5H,4,10H2,1-3H3
InChIKeyLQDLHGJROYETKF-UHFFFAOYSA-N
MW270.39 g/mol
LogP1.68
Rot. Bonds4

About 3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine

3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine (PubChem CID 133443657) has the molecular formula C9H14N6S2 and a molecular weight of 270.39 g/mol. Its IUPAC name is 3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine
PubChem CID133443657
Molecular FormulaC9H14N6S2
Molecular Weight270.39 g/mol
Exact Mass270.07
IUPAC Name3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine
SMILESCCc1nnc(Sc2nc(C(C)C)ns2)n1N
InChIInChI=1S/C9H14N6S2/c1-4-6-12-13-8(15(6)10)16-9-11-7(5(2)3)14-17-9/h5H,4,10H2,1-3H3
InChIKeyLQDLHGJROYETKF-UHFFFAOYSA-N
XLogP1.68
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine with MolForge

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Related Compounds

3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-(trifluoromethyl)-1,2,4-triazol-4-amine
CID 133443679
3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-5-ethyl-1,2,4-triazol-4-amine
CID 13361088
3-propan-2-yl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)-1,2,4-thiadiazole
CID 133426769
N-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 133427688
5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole
CID 131160002
3-methyl-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine
CID 133427811
3-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfanyl-5-ethyl-1,2,4-triazol-4-amine
CID 133369427
2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
CID 66105530
5-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133426877
2-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanesulfonamide
CID 65274915
3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol
CID 79682181
5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole
CID 133425459

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine (CID 133443657) is 3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine is CCc1nnc(Sc2nc(C(C)C)ns2)n1N.
What is the InChIKey of 3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine?
The InChIKey is LQDLHGJROYETKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S2/c1-4-6-12-13-8(15(6)10)16-9-11-7(5(2)3)14-17-9/h5H,4,10H2,1-3H3.
What are the key properties of 3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine?
3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine has a molecular weight of 270.39 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 133443657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).