4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide

C10H12N6O2S2 — CID 2740849

IUPAC4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCNC(=O)c1snnc1C
InChIInChI=1S/C10H12N6O2S2/c1-5-7(19-15-13-5)9(17)11-3-4-12-10(18)8-6(2)14-16-20-8/h3-4H2,1-2H3,(H,11,17)(H,12,18)
InChIKeyVYXPLQQPYLOXAI-UHFFFAOYSA-N
MW312.38 g/mol
LogP0.17
Rot. Bonds5

About 4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide

4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide (PubChem CID 2740849) has the molecular formula C10H12N6O2S2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide
PubChem CID2740849
Molecular FormulaC10H12N6O2S2
Molecular Weight312.38 g/mol
Exact Mass312.05
IUPAC Name4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCNC(=O)c1snnc1C
InChIInChI=1S/C10H12N6O2S2/c1-5-7(19-15-13-5)9(17)11-3-4-12-10(18)8-6(2)14-16-20-8/h3-4H2,1-2H3,(H,11,17)(H,12,18)
InChIKeyVYXPLQQPYLOXAI-UHFFFAOYSA-N
XLogP0.17
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide (CID 2740849) is 4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCCNC(=O)c1snnc1C.
What is the InChIKey of 4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide?
The InChIKey is VYXPLQQPYLOXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S2/c1-5-7(19-15-13-5)9(17)11-3-4-12-10(18)8-6(2)14-16-20-8/h3-4H2,1-2H3,(H,11,17)(H,12,18).
What are the key properties of 4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide?
4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 2740849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).