4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide

C13H19N5OS — CID 104619735

IUPAC4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide
SMILESCCCc1cc(NC(=O)c2snnc2C(C)(C)C)n[nH]1
InChIInChI=1S/C13H19N5OS/c1-5-6-8-7-9(16-15-8)14-12(19)10-11(13(2,3)4)17-18-20-10/h7H,5-6H2,1-4H3,(H2,14,15,16,19)
InChIKeyNEEHZLRMFDQLJO-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.76
Rot. Bonds4

About 4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide

4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide (PubChem CID 104619735) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide
PubChem CID104619735
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide
SMILESCCCc1cc(NC(=O)c2snnc2C(C)(C)C)n[nH]1
InChIInChI=1S/C13H19N5OS/c1-5-6-8-7-9(16-15-8)14-12(19)10-11(13(2,3)4)17-18-20-10/h7H,5-6H2,1-4H3,(H2,14,15,16,19)
InChIKeyNEEHZLRMFDQLJO-UHFFFAOYSA-N
XLogP2.76
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide (CID 104619735) is 4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide is CCCc1cc(NC(=O)c2snnc2C(C)(C)C)n[nH]1.
What is the InChIKey of 4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide?
The InChIKey is NEEHZLRMFDQLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-6-8-7-9(16-15-8)14-12(19)10-11(13(2,3)4)17-18-20-10/h7H,5-6H2,1-4H3,(H2,14,15,16,19).
What are the key properties of 4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(5-propyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 104619735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).