4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide

C14H13N5OS — CID 2814959

IUPAC4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(-c2ccccc2)nn1C
InChIInChI=1S/C14H13N5OS/c1-9-13(21-18-16-9)14(20)15-12-8-11(17-19(12)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,20)
InChIKeyREMDCQUYZAENHD-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.50
Rot. Bonds3

About 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide

4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide (PubChem CID 2814959) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide
PubChem CID2814959
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(-c2ccccc2)nn1C
InChIInChI=1S/C14H13N5OS/c1-9-13(21-18-16-9)14(20)15-12-8-11(17-19(12)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,20)
InChIKeyREMDCQUYZAENHD-UHFFFAOYSA-N
XLogP2.50
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide (CID 2814959) is 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cc(-c2ccccc2)nn1C.
What is the InChIKey of 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide?
The InChIKey is REMDCQUYZAENHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-9-13(21-18-16-9)14(20)15-12-8-11(17-19(12)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,20).
What are the key properties of 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide?
4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methyl-3-phenylpyrazol-5-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 2814959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).