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

C12H17N5OS — CID 104619556

IUPAC4-tert-butyl-N-(5-ethyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide
SMILESCCc1cc(NC(=O)c2snnc2C(C)(C)C)n[nH]1
InChIInChI=1S/C12H17N5OS/c1-5-7-6-8(15-14-7)13-11(18)9-10(12(2,3)4)16-17-19-9/h6H,5H2,1-4H3,(H2,13,14,15,18)
InChIKeyDKTBPDDLGTZSKC-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.37
Rot. Bonds3

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

4-tert-butyl-N-(5-ethyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide (PubChem CID 104619556) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-tert-butyl-N-(5-ethyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(5-ethyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide
PubChem CID104619556
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-tert-butyl-N-(5-ethyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide
SMILESCCc1cc(NC(=O)c2snnc2C(C)(C)C)n[nH]1
InChIInChI=1S/C12H17N5OS/c1-5-7-6-8(15-14-7)13-11(18)9-10(12(2,3)4)16-17-19-9/h6H,5H2,1-4H3,(H2,13,14,15,18)
InChIKeyDKTBPDDLGTZSKC-UHFFFAOYSA-N
XLogP2.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.37
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-ethyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(5-ethyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide (CID 104619556) is 4-tert-butyl-N-(5-ethyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(5-ethyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(5-ethyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide is CCc1cc(NC(=O)c2snnc2C(C)(C)C)n[nH]1.
What is the InChIKey of 4-tert-butyl-N-(5-ethyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide?
The InChIKey is DKTBPDDLGTZSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-5-7-6-8(15-14-7)13-11(18)9-10(12(2,3)4)16-17-19-9/h6H,5H2,1-4H3,(H2,13,14,15,18).
What are the key properties of 4-tert-butyl-N-(5-ethyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(5-ethyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 2.37, 3 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-ethyl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 104619556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).