4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide

C11H13N3OS2 — CID 34651793

IUPAC4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C11H13N3OS2/c1-3-8-10(17-14-13-8)11(15)12-7(2)9-5-4-6-16-9/h4-7H,3H2,1-2H3,(H,12,15)/t7-/m0/s1
InChIKeyFBVWHHMKSYHFLI-ZETCQYMHSA-N
MW267.38 g/mol
LogP2.65
Rot. Bonds4

About 4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide

4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide (PubChem CID 34651793) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide
PubChem CID34651793
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@@H](C)c1cccs1
InChIInChI=1S/C11H13N3OS2/c1-3-8-10(17-14-13-8)11(15)12-7(2)9-5-4-6-16-9/h4-7H,3H2,1-2H3,(H,12,15)/t7-/m0/s1
InChIKeyFBVWHHMKSYHFLI-ZETCQYMHSA-N
XLogP2.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide (CID 34651793) is 4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)N[C@@H](C)c1cccs1.
What is the InChIKey of 4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide?
The InChIKey is FBVWHHMKSYHFLI-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-3-8-10(17-14-13-8)11(15)12-7(2)9-5-4-6-16-9/h4-7H,3H2,1-2H3,(H,12,15)/t7-/m0/s1.
What are the key properties of 4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide?
4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide has a molecular weight of 267.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(1S)-1-thiophen-2-ylethyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 34651793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).