N-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide

C17H19N5OS — CID 35613107

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H19N5OS/c1-3-15-16(24-20-19-15)17(23)21(2)10-14-9-18-22(12-14)11-13-7-5-4-6-8-13/h4-9,12H,3,10-11H2,1-2H3
InChIKeyVKHPBJNLNWEXJC-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.62
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide

N-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide (PubChem CID 35613107) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide
PubChem CID35613107
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H19N5OS/c1-3-15-16(24-20-19-15)17(23)21(2)10-14-9-18-22(12-14)11-13-7-5-4-6-8-13/h4-9,12H,3,10-11H2,1-2H3
InChIKeyVKHPBJNLNWEXJC-UHFFFAOYSA-N
XLogP2.62
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide (CID 35613107) is N-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)N(C)Cc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide?
The InChIKey is VKHPBJNLNWEXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-3-15-16(24-20-19-15)17(23)21(2)10-14-9-18-22(12-14)11-13-7-5-4-6-8-13/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide?
N-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide has a molecular weight of 341.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-4-ethyl-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 35613107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).