N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide

C13H17N3OS2 — CID 94094955

IUPACN-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@@H](C)c1cc(C)sc1C
InChIInChI=1S/C13H17N3OS2/c1-5-11-12(19-16-15-11)13(17)14-8(3)10-6-7(2)18-9(10)4/h6,8H,5H2,1-4H3,(H,14,17)/t8-/m0/s1
InChIKeyWNBFXMDGZMLRQU-QMMMGPOBSA-N
MW295.43 g/mol
LogP3.27
Rot. Bonds4

About N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide

N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 94094955) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID94094955
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC NameN-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)N[C@@H](C)c1cc(C)sc1C
InChIInChI=1S/C13H17N3OS2/c1-5-11-12(19-16-15-11)13(17)14-8(3)10-6-7(2)18-9(10)4/h6,8H,5H2,1-4H3,(H,14,17)/t8-/m0/s1
InChIKeyWNBFXMDGZMLRQU-QMMMGPOBSA-N
XLogP3.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide (CID 94094955) is N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)N[C@@H](C)c1cc(C)sc1C.
What is the InChIKey of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is WNBFXMDGZMLRQU-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-5-11-12(19-16-15-11)13(17)14-8(3)10-6-7(2)18-9(10)4/h6,8H,5H2,1-4H3,(H,14,17)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 94094955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).