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

C13H17N3OS2 — CID 47374727

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C13H17N3OS2/c1-5-8-6-7-18-9(8)10(17)14-12-16-15-11(19-12)13(2,3)4/h6-7H,5H2,1-4H3,(H,14,16,17)
InChIKeyZDTSHQPRMCJGDW-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.71
Rot. Bonds3

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

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide (PubChem CID 47374727) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide
PubChem CID47374727
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1nnc(C(C)(C)C)s1
InChIInChI=1S/C13H17N3OS2/c1-5-8-6-7-18-9(8)10(17)14-12-16-15-11(19-12)13(2,3)4/h6-7H,5H2,1-4H3,(H,14,16,17)
InChIKeyZDTSHQPRMCJGDW-UHFFFAOYSA-N
XLogP3.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide (CID 47374727) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)Nc1nnc(C(C)(C)C)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide?
The InChIKey is ZDTSHQPRMCJGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-5-8-6-7-18-9(8)10(17)14-12-16-15-11(19-12)13(2,3)4/h6-7H,5H2,1-4H3,(H,14,16,17).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 47374727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).