5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide

C18H19N5OS — CID 166292831

IUPAC5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2nnc(C3CCC3)s2)cc1Cc1ccccc1
InChIInChI=1S/C18H19N5OS/c1-23-14(10-12-6-3-2-4-7-12)11-15(22-23)16(24)19-18-21-20-17(25-18)13-8-5-9-13/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,19,21,24)
InChIKeyXSRWITFRNWWVSB-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.38
Rot. Bonds5

About 5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide

5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 166292831) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide
PubChem CID166292831
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2nnc(C3CCC3)s2)cc1Cc1ccccc1
InChIInChI=1S/C18H19N5OS/c1-23-14(10-12-6-3-2-4-7-12)11-15(22-23)16(24)19-18-21-20-17(25-18)13-8-5-9-13/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,19,21,24)
InChIKeyXSRWITFRNWWVSB-UHFFFAOYSA-N
XLogP3.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-(3-chlorophenyl)-N-[5-[3-[5-[[2-(3-chlorophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123847431
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CID 135234164
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxyphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide (CID 166292831) is 5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)Nc2nnc(C3CCC3)s2)cc1Cc1ccccc1.
What is the InChIKey of 5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is XSRWITFRNWWVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-23-14(10-12-6-3-2-4-7-12)11-15(22-23)16(24)19-18-21-20-17(25-18)13-8-5-9-13/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,19,21,24).
What are the key properties of 5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide?
5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 166292831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).