4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide

C11H15N5OS — CID 31849479

IUPAC4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C11H15N5OS/c1-4-9-10(18-14-13-9)11(17)15(2)6-8-5-12-16(3)7-8/h5,7H,4,6H2,1-3H3
InChIKeyGETJCVTYXUIBNJ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.11
Rot. Bonds4

About 4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide

4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 31849479) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide
PubChem CID31849479
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)Cc1cnn(C)c1
InChIInChI=1S/C11H15N5OS/c1-4-9-10(18-14-13-9)11(17)15(2)6-8-5-12-16(3)7-8/h5,7H,4,6H2,1-3H3
InChIKeyGETJCVTYXUIBNJ-UHFFFAOYSA-N
XLogP1.11
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide (CID 31849479) is 4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(C)Cc1cnn(C)c1.
What is the InChIKey of 4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is GETJCVTYXUIBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-4-9-10(18-14-13-9)11(17)15(2)6-8-5-12-16(3)7-8/h5,7H,4,6H2,1-3H3.
What are the key properties of 4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 31849479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).