5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

C10H12N6OS — CID 80617137

IUPAC5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCc2cnc(C)cn2)s1
InChIInChI=1S/C10H12N6OS/c1-6-3-13-7(4-12-6)5-14-8(17)9-15-16-10(11-2)18-9/h3-4H,5H2,1-2H3,(H,11,16)(H,14,17)
InChIKeyFITDRVUQBFDJAL-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.61
Rot. Bonds4

About 5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617137) has the molecular formula C10H12N6OS and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617137
Molecular FormulaC10H12N6OS
Molecular Weight264.31 g/mol
Exact Mass264.08
IUPAC Name5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCNc1nnc(C(=O)NCc2cnc(C)cn2)s1
InChIInChI=1S/C10H12N6OS/c1-6-3-13-7(4-12-6)5-14-8(17)9-15-16-10(11-2)18-9/h3-4H,5H2,1-2H3,(H,11,16)(H,14,17)
InChIKeyFITDRVUQBFDJAL-UHFFFAOYSA-N
XLogP0.61
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 80617137) is 5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is CNc1nnc(C(=O)NCc2cnc(C)cn2)s1.
What is the InChIKey of 5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FITDRVUQBFDJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS/c1-6-3-13-7(4-12-6)5-14-8(17)9-15-16-10(11-2)18-9/h3-4H,5H2,1-2H3,(H,11,16)(H,14,17).
What are the key properties of 5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?
5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 264.31 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).