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

C11H11N3O3S — CID 1392231

IUPACmethyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nnc(COc2ccccc2)s1
InChIInChI=1S/C11H11N3O3S/c1-16-11(15)12-10-14-13-9(18-10)7-17-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14,15)
InChIKeyQYWMHMRJXNSHGZ-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.30
Rot. Bonds4

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

methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate (PubChem CID 1392231) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate
PubChem CID1392231
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Namemethyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate
SMILESCOC(=O)Nc1nnc(COc2ccccc2)s1
InChIInChI=1S/C11H11N3O3S/c1-16-11(15)12-10-14-13-9(18-10)7-17-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14,15)
InChIKeyQYWMHMRJXNSHGZ-UHFFFAOYSA-N
XLogP2.30
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate (CID 1392231) is methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate is COC(=O)Nc1nnc(COc2ccccc2)s1.
What is the InChIKey of methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate?
The InChIKey is QYWMHMRJXNSHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-16-11(15)12-10-14-13-9(18-10)7-17-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,12,14,15).
What are the key properties of methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate?
methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate has a molecular weight of 265.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate is sourced from PubChem (CID 1392231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).