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

C11H15N5S3 — CID 103060352

IUPAC5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CSc2nnc(SC)s2)cn1
InChIInChI=1S/C11H15N5S3/c1-3-4-12-9-6-13-8(5-14-9)7-18-11-16-15-10(17-2)19-11/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyDLLJTTDSEGDOJM-UHFFFAOYSA-N
MW313.48 g/mol
LogP3.16
Rot. Bonds7

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

5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine (PubChem CID 103060352) has the molecular formula C11H15N5S3 and a molecular weight of 313.48 g/mol. Its IUPAC name is 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
PubChem CID103060352
Molecular FormulaC11H15N5S3
Molecular Weight313.48 g/mol
Exact Mass313.05
IUPAC Name5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CSc2nnc(SC)s2)cn1
InChIInChI=1S/C11H15N5S3/c1-3-4-12-9-6-13-8(5-14-9)7-18-11-16-15-10(17-2)19-11/h5-6H,3-4,7H2,1-2H3,(H,12,14)
InChIKeyDLLJTTDSEGDOJM-UHFFFAOYSA-N
XLogP3.16
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine?
The IUPAC name of 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine (CID 103060352) is 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine is CCCNc1cnc(CSc2nnc(SC)s2)cn1.
What is the InChIKey of 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine?
The InChIKey is DLLJTTDSEGDOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S3/c1-3-4-12-9-6-13-8(5-14-9)7-18-11-16-15-10(17-2)19-11/h5-6H,3-4,7H2,1-2H3,(H,12,14).
What are the key properties of 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine?
5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine has a molecular weight of 313.48 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 103060352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).