methyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate

C17H21N3O3S — CID 154841935

IUPACmethyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(Oc2nc(C3CCCCC3)ns2)cc1
InChIInChI=1S/C17H21N3O3S/c1-20(17(21)22-2)13-8-10-14(11-9-13)23-16-18-15(19-24-16)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3
InChIKeyPIVQMQQVSNUTST-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.58
Rot. Bonds4

About methyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate

methyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate (PubChem CID 154841935) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is methyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate
PubChem CID154841935
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Namemethyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(Oc2nc(C3CCCCC3)ns2)cc1
InChIInChI=1S/C17H21N3O3S/c1-20(17(21)22-2)13-8-10-14(11-9-13)23-16-18-15(19-24-16)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3
InChIKeyPIVQMQQVSNUTST-UHFFFAOYSA-N
XLogP4.58
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate?
The IUPAC name of methyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate (CID 154841935) is methyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate is COC(=O)N(C)c1ccc(Oc2nc(C3CCCCC3)ns2)cc1.
What is the InChIKey of methyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate?
The InChIKey is PIVQMQQVSNUTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-20(17(21)22-2)13-8-10-14(11-9-13)23-16-18-15(19-24-16)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3.
What are the key properties of methyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate?
methyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate has a molecular weight of 347.44 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(3-cyclohexyl-1,2,4-thiadiazol-5-yl)oxy]phenyl]-N-methylcarbamate is sourced from PubChem (CID 154841935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).