5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide

C9H10N6OS — CID 80615301

IUPAC5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2cnccn2)s1
InChIInChI=1S/C9H10N6OS/c1-2-11-9-15-14-8(17-9)7(16)13-6-5-10-3-4-12-6/h3-5H,2H2,1H3,(H,11,15)(H,12,13,16)
InChIKeyZKLZXQOXQWMKAI-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.01
Rot. Bonds4

About 5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide

5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80615301) has the molecular formula C9H10N6OS and a molecular weight of 250.29 g/mol. Its IUPAC name is 5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide
PubChem CID80615301
Molecular FormulaC9H10N6OS
Molecular Weight250.29 g/mol
Exact Mass250.06
IUPAC Name5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide
SMILESCCNc1nnc(C(=O)Nc2cnccn2)s1
InChIInChI=1S/C9H10N6OS/c1-2-11-9-15-14-8(17-9)7(16)13-6-5-10-3-4-12-6/h3-5H,2H2,1H3,(H,11,15)(H,12,13,16)
InChIKeyZKLZXQOXQWMKAI-UHFFFAOYSA-N
XLogP1.01
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide 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 5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide (CID 80615301) is 5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide is CCNc1nnc(C(=O)Nc2cnccn2)s1.
What is the InChIKey of 5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ZKLZXQOXQWMKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6OS/c1-2-11-9-15-14-8(17-9)7(16)13-6-5-10-3-4-12-6/h3-5H,2H2,1H3,(H,11,15)(H,12,13,16).
What are the key properties of 5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide?
5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 250.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-N-pyrazin-2-yl-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80615301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).