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

C9H13N5S3 — CID 133427688

IUPACN-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(Sc2nc(C(C)C)ns2)s1
InChIInChI=1S/C9H13N5S3/c1-4-10-7-12-13-9(15-7)16-8-11-6(5(2)3)14-17-8/h5H,4H2,1-3H3,(H,10,12)
InChIKeyIVZJOMUHKQUOSB-UHFFFAOYSA-N
MW287.44 g/mol
LogP3.10
Rot. Bonds5

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

N-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133427688) has the molecular formula C9H13N5S3 and a molecular weight of 287.44 g/mol. Its IUPAC name is N-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID133427688
Molecular FormulaC9H13N5S3
Molecular Weight287.44 g/mol
Exact Mass287.03
IUPAC NameN-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(Sc2nc(C(C)C)ns2)s1
InChIInChI=1S/C9H13N5S3/c1-4-10-7-12-13-9(15-7)16-8-11-6(5(2)3)14-17-8/h5H,4H2,1-3H3,(H,10,12)
InChIKeyIVZJOMUHKQUOSB-UHFFFAOYSA-N
XLogP3.10
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-methylsulfanyl-3-propan-2-yl-1,2,4-thiadiazole
CID 131160002
3-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,2,4-triazol-4-amine
CID 133443657
(2R)-3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile
CID 9379597
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 133425544
N-[(4-fluorophenyl)methyl]-5-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 133426572
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanenitrile
CID 9379522
N-ethyl-5-(oxetan-3-ylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 130693454
N-(2-methylpropyl)-5-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 43054798
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(3-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 133425536
(2S)-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylpropan-1-one
CID 40799457
2-methyl-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
CID 66105530

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (CID 133427688) is N-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(Sc2nc(C(C)C)ns2)s1.
What is the InChIKey of N-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is IVZJOMUHKQUOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5S3/c1-4-10-7-12-13-9(15-7)16-8-11-6(5(2)3)14-17-8/h5H,4H2,1-3H3,(H,10,12).
What are the key properties of N-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 287.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133427688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).