4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide

C15H15N5OS — CID 121020141

IUPAC4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H15N5OS/c1-11-14(22-19-18-11)15(21)16-7-8-20-10-13(9-17-20)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,16,21)
InChIKeyNLWCVVRSWCXSEH-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.14
Rot. Bonds5

About 4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide

4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide (PubChem CID 121020141) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide
PubChem CID121020141
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCCn1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H15N5OS/c1-11-14(22-19-18-11)15(21)16-7-8-20-10-13(9-17-20)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,16,21)
InChIKeyNLWCVVRSWCXSEH-UHFFFAOYSA-N
XLogP2.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide (CID 121020141) is 4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCCn1cc(-c2ccccc2)cn1.
What is the InChIKey of 4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide?
The InChIKey is NLWCVVRSWCXSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-11-14(22-19-18-11)15(21)16-7-8-20-10-13(9-17-20)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,16,21).
What are the key properties of 4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide?
4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 121020141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).