N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide

C15H15N3O2S — CID 46523449

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C15H15N3O2S/c1-3-11-14(21-18-17-11)15(19)16-9(2)13-8-10-6-4-5-7-12(10)20-13/h4-9H,3H2,1-2H3,(H,16,19)
InChIKeyBLBHJXLBOGIGIG-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.34
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 46523449) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID46523449
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C15H15N3O2S/c1-3-11-14(21-18-17-11)15(19)16-9(2)13-8-10-6-4-5-7-12(10)20-13/h4-9H,3H2,1-2H3,(H,16,19)
InChIKeyBLBHJXLBOGIGIG-UHFFFAOYSA-N
XLogP3.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[(1S)-1-(2-methylphenyl)ethyl]thiadiazole-5-carboxamide
CID 34815435
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide
CID 79809165
N-[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 100678074
N-[1-(1-benzofuran-2-yl)ethyl]-4,5-dibromothiophene-2-carboxamide
CID 78911568
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]pyridine-2-carboxamide
CID 104741318
N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 45353703
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide (CID 46523449) is N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NC(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is BLBHJXLBOGIGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-3-11-14(21-18-17-11)15(19)16-9(2)13-8-10-6-4-5-7-12(10)20-13/h4-9H,3H2,1-2H3,(H,16,19).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 46523449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).