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

C11H12BrN3OS2 — CID 29306548

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C11H12BrN3OS2/c1-2-8-10(18-15-14-8)11(16)13-6-5-7-3-4-9(12)17-7/h3-4H,2,5-6H2,1H3,(H,13,16)
InChIKeyUPANPXAWIJNOKR-UHFFFAOYSA-N
MW346.28 g/mol
LogP2.90
Rot. Bonds5

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

N-[2-(5-bromothiophen-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 29306548) has the molecular formula C11H12BrN3OS2 and a molecular weight of 346.28 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID29306548
Molecular FormulaC11H12BrN3OS2
Molecular Weight346.28 g/mol
Exact Mass344.96
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCCc1ccc(Br)s1
InChIInChI=1S/C11H12BrN3OS2/c1-2-8-10(18-15-14-8)11(16)13-6-5-7-3-4-9(12)17-7/h3-4H,2,5-6H2,1H3,(H,13,16)
InChIKeyUPANPXAWIJNOKR-UHFFFAOYSA-N
XLogP2.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide (CID 29306548) is N-[2-(5-bromothiophen-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCCc1ccc(Br)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is UPANPXAWIJNOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3OS2/c1-2-8-10(18-15-14-8)11(16)13-6-5-7-3-4-9(12)17-7/h3-4H,2,5-6H2,1H3,(H,13,16).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 346.28 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 29306548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).