6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine

C10H13N5S3 — CID 115384424

IUPAC6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(Sc2nnc(SC)s2)n1
InChIInChI=1S/C10H13N5S3/c1-3-4-12-7-5-11-6-8(13-7)17-10-15-14-9(16-2)18-10/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyVPOLFYQDAJEEHN-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.02
Rot. Bonds6

About 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine

6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine (PubChem CID 115384424) has the molecular formula C10H13N5S3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine
PubChem CID115384424
Molecular FormulaC10H13N5S3
Molecular Weight299.45 g/mol
Exact Mass299.03
IUPAC Name6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cncc(Sc2nnc(SC)s2)n1
InChIInChI=1S/C10H13N5S3/c1-3-4-12-7-5-11-6-8(13-7)17-10-15-14-9(16-2)18-10/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyVPOLFYQDAJEEHN-UHFFFAOYSA-N
XLogP3.02
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrazin-2-amine
CID 80890961
5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 115384396
6-(1-methylpyrazol-4-yl)sulfanyl-N-propylpyrazin-2-amine
CID 80891650
N-[[6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 115383866
2-[(6-methylsulfanylpyrazin-2-yl)amino]ethanol
CID 131159984
6-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 115383635
3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890920
5-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 115384358
6-[2-(diethylamino)ethylsulfanyl]-N-propylpyrazin-2-amine
CID 80890192
6-(furan-2-ylmethylsulfanyl)-N-propylpyrazin-2-amine
CID 80892831
6-(3-methoxypropylsulfanyl)-N-propylpyrazin-2-amine
CID 80890057
2-methyl-3-[6-(propylamino)pyrazin-2-yl]sulfanylpropan-1-ol
CID 80890913

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine?
The IUPAC name of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine (CID 115384424) is 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine is CCCNc1cncc(Sc2nnc(SC)s2)n1.
What is the InChIKey of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine?
The InChIKey is VPOLFYQDAJEEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S3/c1-3-4-12-7-5-11-6-8(13-7)17-10-15-14-9(16-2)18-10/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine?
6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine has a molecular weight of 299.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 115384424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).