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

C10H13N5OS — CID 47369409

IUPAC4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1cnn(C)c1
InChIInChI=1S/C10H13N5OS/c1-3-8-9(17-14-13-8)10(16)11-4-7-5-12-15(2)6-7/h5-6H,3-4H2,1-2H3,(H,11,16)
InChIKeyHGQRJOIFTKQMNJ-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.76
Rot. Bonds4

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

4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide (PubChem CID 47369409) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide
PubChem CID47369409
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1cnn(C)c1
InChIInChI=1S/C10H13N5OS/c1-3-8-9(17-14-13-8)10(16)11-4-7-5-12-15(2)6-7/h5-6H,3-4H2,1-2H3,(H,11,16)
InChIKeyHGQRJOIFTKQMNJ-UHFFFAOYSA-N
XLogP0.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
4-propyl-N-(1H-pyrazol-4-ylmethyl)thiadiazole-5-carboxamide
CID 65210270
N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 39573959
4-ethyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 24668930
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]thiadiazole-5-carboxamide
CID 37156613
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-4-propylthiadiazole-5-carboxamide
CID 91794562
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280
4-ethyl-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 128998259
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
4-ethyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]thiadiazole-5-carboxamide
CID 47082393
5,6-diethyl-3-[(1-methylpyrazol-4-yl)methylamino]pyridazine-4-carboxylic acid
CID 80517516
N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 110461051

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide (CID 47369409) is 4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1cnn(C)c1.
What is the InChIKey of 4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
The InChIKey is HGQRJOIFTKQMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-3-8-9(17-14-13-8)10(16)11-4-7-5-12-15(2)6-7/h5-6H,3-4H2,1-2H3,(H,11,16).
What are the key properties of 4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 47369409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).