methyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate

C11H11N3O3S — CID 1385839

IUPACmethyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nnc(-c2ccccc2OC)s1
InChIInChI=1S/C11H11N3O3S/c1-16-8-6-4-3-5-7(8)9-13-14-10(18-9)12-11(15)17-2/h3-6H,1-2H3,(H,12,14,15)
InChIKeyWQGDSKJYDVQOTF-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.39
Rot. Bonds3

About methyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate

methyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate (PubChem CID 1385839) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is methyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
PubChem CID1385839
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Namemethyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nnc(-c2ccccc2OC)s1
InChIInChI=1S/C11H11N3O3S/c1-16-8-6-4-3-5-7(8)9-13-14-10(18-9)12-11(15)17-2/h3-6H,1-2H3,(H,12,14,15)
InChIKeyWQGDSKJYDVQOTF-UHFFFAOYSA-N
XLogP2.39
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate (CID 1385839) is methyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate is COC(=O)Nc1nnc(-c2ccccc2OC)s1.
What is the InChIKey of methyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate?
The InChIKey is WQGDSKJYDVQOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-16-8-6-4-3-5-7(8)9-13-14-10(18-9)12-11(15)17-2/h3-6H,1-2H3,(H,12,14,15).
What are the key properties of methyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate?
methyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate has a molecular weight of 265.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamate is sourced from PubChem (CID 1385839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).