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

C9H11N5S2 — CID 103059970

IUPACN-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine
SMILESCNc1cnc(CSc2nnc(C)s2)cn1
InChIInChI=1S/C9H11N5S2/c1-6-13-14-9(16-6)15-5-7-3-12-8(10-2)4-11-7/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyVBBAJCVATFLAMK-UHFFFAOYSA-N
MW253.36 g/mol
LogP1.97
Rot. Bonds4

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

N-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine (PubChem CID 103059970) has the molecular formula C9H11N5S2 and a molecular weight of 253.36 g/mol. Its IUPAC name is N-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine
PubChem CID103059970
Molecular FormulaC9H11N5S2
Molecular Weight253.36 g/mol
Exact Mass253.05
IUPAC NameN-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine
SMILESCNc1cnc(CSc2nnc(C)s2)cn1
InChIInChI=1S/C9H11N5S2/c1-6-13-14-9(16-6)15-5-7-3-12-8(10-2)4-11-7/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyVBBAJCVATFLAMK-UHFFFAOYSA-N
XLogP1.97
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-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

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine?
The IUPAC name of N-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine (CID 103059970) is N-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine?
The canonical SMILES for N-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine is CNc1cnc(CSc2nnc(C)s2)cn1.
What is the InChIKey of N-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine?
The InChIKey is VBBAJCVATFLAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S2/c1-6-13-14-9(16-6)15-5-7-3-12-8(10-2)4-11-7/h3-4H,5H2,1-2H3,(H,10,12).
What are the key properties of N-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine?
N-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine has a molecular weight of 253.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazin-2-amine is sourced from PubChem (CID 103059970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).