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

C10H13N5S3 — CID 103060354

IUPACN-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine
SMILESCCNc1cnc(CSc2nnc(SC)s2)cn1
InChIInChI=1S/C10H13N5S3/c1-3-11-8-5-12-7(4-13-8)6-17-10-15-14-9(16-2)18-10/h4-5H,3,6H2,1-2H3,(H,11,13)
InChIKeySKINQFBEMFHJBM-UHFFFAOYSA-N
MW299.45 g/mol
LogP2.77
Rot. Bonds6

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

N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine (PubChem CID 103060354) has the molecular formula C10H13N5S3 and a molecular weight of 299.45 g/mol. Its IUPAC name is N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine
PubChem CID103060354
Molecular FormulaC10H13N5S3
Molecular Weight299.45 g/mol
Exact Mass299.03
IUPAC NameN-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine
SMILESCCNc1cnc(CSc2nnc(SC)s2)cn1
InChIInChI=1S/C10H13N5S3/c1-3-11-8-5-12-7(4-13-8)6-17-10-15-14-9(16-2)18-10/h4-5H,3,6H2,1-2H3,(H,11,13)
InChIKeySKINQFBEMFHJBM-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine?
The IUPAC name of N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine (CID 103060354) is N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine.
What is the SMILES notation for N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine?
The canonical SMILES for N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine is CCNc1cnc(CSc2nnc(SC)s2)cn1.
What is the InChIKey of N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine?
The InChIKey is SKINQFBEMFHJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S3/c1-3-11-8-5-12-7(4-13-8)6-17-10-15-14-9(16-2)18-10/h4-5H,3,6H2,1-2H3,(H,11,13).
What are the key properties of N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine?
N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine has a molecular weight of 299.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine is sourced from PubChem (CID 103060354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).