N-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide

C12H12N4O2S — CID 39966399

IUPACN-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C12H12N4O2S/c1-2-9-10(19-16-15-9)12(18)14-8-5-3-4-7(6-8)11(13)17/h3-6H,2H2,1H3,(H2,13,17)(H,14,18)
InChIKeyKQTFYQYMUQPURI-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.45
Rot. Bonds4

About N-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide

N-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 39966399) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID39966399
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C12H12N4O2S/c1-2-9-10(19-16-15-9)12(18)14-8-5-3-4-7(6-8)11(13)17/h3-6H,2H2,1H3,(H2,13,17)(H,14,18)
InChIKeyKQTFYQYMUQPURI-UHFFFAOYSA-N
XLogP1.45
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide (CID 39966399) is N-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is KQTFYQYMUQPURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-2-9-10(19-16-15-9)12(18)14-8-5-3-4-7(6-8)11(13)17/h3-6H,2H2,1H3,(H2,13,17)(H,14,18).
What are the key properties of N-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide?
N-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 39966399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).