3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide

C15H23N5OS — CID 1455367

IUPAC3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C15H23N5OS/c1-14(2,3)10-8-9(20(7)19-10)11(21)16-13-18-17-12(22-13)15(4,5)6/h8H,1-7H3,(H,16,18,21)
InChIKeyGDGPDDBPWRYZAI-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.12
Rot. Bonds2

About 3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide

3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 1455367) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide
PubChem CID1455367
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C15H23N5OS/c1-14(2,3)10-8-9(20(7)19-10)11(21)16-13-18-17-12(22-13)15(4,5)6/h8H,1-7H3,(H,16,18,21)
InChIKeyGDGPDDBPWRYZAI-UHFFFAOYSA-N
XLogP3.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide (CID 1455367) is 3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide is Cn1nc(C(C)(C)C)cc1C(=O)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of 3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is GDGPDDBPWRYZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-14(2,3)10-8-9(20(7)19-10)11(21)16-13-18-17-12(22-13)15(4,5)6/h8H,1-7H3,(H,16,18,21).
What are the key properties of 3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide?
3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 1455367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).