[2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate

C11H11N3O2S — CID 174477773

IUPAC[2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate
SMILESCCc1nnc(-c2ccccc2OC(N)=O)s1
InChIInChI=1S/C11H11N3O2S/c1-2-9-13-14-10(17-9)7-5-3-4-6-8(7)16-11(12)15/h3-6H,2H2,1H3,(H2,12,15)
InChIKeyNNBJHVYXJAWXEY-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.22
Rot. Bonds3

About [2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate

[2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate (PubChem CID 174477773) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is [2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate.

Molecular Properties

Compound Name[2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate
PubChem CID174477773
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name[2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate
SMILESCCc1nnc(-c2ccccc2OC(N)=O)s1
InChIInChI=1S/C11H11N3O2S/c1-2-9-13-14-10(17-9)7-5-3-4-6-8(7)16-11(12)15/h3-6H,2H2,1H3,(H2,12,15)
InChIKeyNNBJHVYXJAWXEY-UHFFFAOYSA-N
XLogP2.22
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate
CID 174464729
2-ethyl-5-(2-nitrophenyl)-1,3,4-thiadiazole
CID 66942360
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 977320
(2-trimethylsilylphenyl) carbamate
CID 68854003
bis(2-amino-2-(hydroxymethyl)propane-1,3-diol);(2-carbamoyloxyphenyl) carbamate
CID 175859022
2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 101460116
methyl 4-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-5-carboxylate
CID 90383512
2-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 7096021
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
2-(4-ethylphenoxy)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1382131
N-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 82176796
[2-(dimethylamino)phenyl] carbamate
CID 163610116

Frequently Asked Questions

What is the IUPAC name of [2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate?
The IUPAC name of [2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate (CID 174477773) is [2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate.
What is the SMILES notation for [2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate?
The canonical SMILES for [2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate is CCc1nnc(-c2ccccc2OC(N)=O)s1.
What is the InChIKey of [2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate?
The InChIKey is NNBJHVYXJAWXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-2-9-13-14-10(17-9)7-5-3-4-6-8(7)16-11(12)15/h3-6H,2H2,1H3,(H2,12,15).
What are the key properties of [2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate?
[2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate has a molecular weight of 249.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-ethyl-1,3,4-thiadiazol-2-yl)phenyl] carbamate is sourced from PubChem (CID 174477773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).