N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide

C14H19N3OS2 — CID 71684893

IUPACN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(c1cccs1)C(C)(C)C
InChIInChI=1S/C14H19N3OS2/c1-5-9-11(20-17-16-9)13(18)15-12(14(2,3)4)10-7-6-8-19-10/h6-8,12H,5H2,1-4H3,(H,15,18)
InChIKeyMFFMWQMQDANYBA-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.68
Rot. Bonds4

About N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 71684893) has the molecular formula C14H19N3OS2 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID71684893
Molecular FormulaC14H19N3OS2
Molecular Weight309.46 g/mol
Exact Mass309.10
IUPAC NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(c1cccs1)C(C)(C)C
InChIInChI=1S/C14H19N3OS2/c1-5-9-11(20-17-16-9)13(18)15-12(14(2,3)4)10-7-6-8-19-10/h6-8,12H,5H2,1-4H3,(H,15,18)
InChIKeyMFFMWQMQDANYBA-UHFFFAOYSA-N
XLogP3.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide (CID 71684893) is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC(c1cccs1)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is MFFMWQMQDANYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS2/c1-5-9-11(20-17-16-9)13(18)15-12(14(2,3)4)10-7-6-8-19-10/h6-8,12H,5H2,1-4H3,(H,15,18).
What are the key properties of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide?
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 309.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 71684893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).