N-tert-butyl-4-ethylthiadiazole-5-carboxamide

C9H15N3OS — CID 60665041

IUPACN-tert-butyl-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(C)(C)C
InChIInChI=1S/C9H15N3OS/c1-5-6-7(14-12-11-6)8(13)10-9(2,3)4/h5H2,1-4H3,(H,10,13)
InChIKeyXQLHKJVJWJCDAN-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.63
Rot. Bonds2

About N-tert-butyl-4-ethylthiadiazole-5-carboxamide

N-tert-butyl-4-ethylthiadiazole-5-carboxamide (PubChem CID 60665041) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-tert-butyl-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-ethylthiadiazole-5-carboxamide
PubChem CID60665041
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-tert-butyl-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(C)(C)C
InChIInChI=1S/C9H15N3OS/c1-5-6-7(14-12-11-6)8(13)10-9(2,3)4/h5H2,1-4H3,(H,10,13)
InChIKeyXQLHKJVJWJCDAN-UHFFFAOYSA-N
XLogP1.63
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-tert-butyl-4-ethylthiadiazole-5-carboxamide (CID 60665041) is N-tert-butyl-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-ethylthiadiazole-5-carboxamide?
The InChIKey is XQLHKJVJWJCDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-5-6-7(14-12-11-6)8(13)10-9(2,3)4/h5H2,1-4H3,(H,10,13).
What are the key properties of N-tert-butyl-4-ethylthiadiazole-5-carboxamide?
N-tert-butyl-4-ethylthiadiazole-5-carboxamide has a molecular weight of 213.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 60665041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).