methyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate

C14H16N2O3S — CID 71855829

IUPACmethyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2nc(C)c(C)s2)cc1
InChIInChI=1S/C14H16N2O3S/c1-9-10(2)20-13(15-9)8-19-12-6-4-11(5-7-12)16-14(17)18-3/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyFFJOIMSUZODLFV-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.52
Rot. Bonds4

About methyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate

methyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate (PubChem CID 71855829) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate
PubChem CID71855829
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Namemethyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OCc2nc(C)c(C)s2)cc1
InChIInChI=1S/C14H16N2O3S/c1-9-10(2)20-13(15-9)8-19-12-6-4-11(5-7-12)16-14(17)18-3/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyFFJOIMSUZODLFV-UHFFFAOYSA-N
XLogP3.52
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate (CID 71855829) is methyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate is COC(=O)Nc1ccc(OCc2nc(C)c(C)s2)cc1.
What is the InChIKey of methyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate?
The InChIKey is FFJOIMSUZODLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9-10(2)20-13(15-9)8-19-12-6-4-11(5-7-12)16-14(17)18-3/h4-7H,8H2,1-3H3,(H,16,17).
What are the key properties of methyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate?
methyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate has a molecular weight of 292.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]phenyl]carbamate is sourced from PubChem (CID 71855829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).