N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C17H19N5OS2 — CID 2532107

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CSc2nncs2)n(-c2ccccc2)n1
InChIInChI=1S/C17H19N5OS2/c1-17(2,3)13-9-14(22(21-13)12-7-5-4-6-8-12)19-15(23)10-24-16-20-18-11-25-16/h4-9,11H,10H2,1-3H3,(H,19,23)
InChIKeyFPFWXDDLMKPAKW-UHFFFAOYSA-N
MW373.51 g/mol
LogP3.75
Rot. Bonds5

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 2532107) has the molecular formula C17H19N5OS2 and a molecular weight of 373.51 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID2532107
Molecular FormulaC17H19N5OS2
Molecular Weight373.51 g/mol
Exact Mass373.10
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)CSc2nncs2)n(-c2ccccc2)n1
InChIInChI=1S/C17H19N5OS2/c1-17(2,3)13-9-14(22(21-13)12-7-5-4-6-8-12)19-15(23)10-24-16-20-18-11-25-16/h4-9,11H,10H2,1-3H3,(H,19,23)
InChIKeyFPFWXDDLMKPAKW-UHFFFAOYSA-N
XLogP3.75
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 2532107) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is CC(C)(C)c1cc(NC(=O)CSc2nncs2)n(-c2ccccc2)n1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is FPFWXDDLMKPAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS2/c1-17(2,3)13-9-14(22(21-13)12-7-5-4-6-8-12)19-15(23)10-24-16-20-18-11-25-16/h4-9,11H,10H2,1-3H3,(H,19,23).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 373.51 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2532107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).