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

C14H16N2O3S — CID 47077529

IUPACmethyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate
SMILESCCc1nc(COc2ccc(NC(=O)OC)cc2)cs1
InChIInChI=1S/C14H16N2O3S/c1-3-13-15-11(9-20-13)8-19-12-6-4-10(5-7-12)16-14(17)18-2/h4-7,9H,3,8H2,1-2H3,(H,16,17)
InChIKeyFQAXEZBPWIVGSU-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.46
Rot. Bonds5

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

methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate (PubChem CID 47077529) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate
PubChem CID47077529
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Namemethyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate
SMILESCCc1nc(COc2ccc(NC(=O)OC)cc2)cs1
InChIInChI=1S/C14H16N2O3S/c1-3-13-15-11(9-20-13)8-19-12-6-4-10(5-7-12)16-14(17)18-2/h4-7,9H,3,8H2,1-2H3,(H,16,17)
InChIKeyFQAXEZBPWIVGSU-UHFFFAOYSA-N
XLogP3.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-2-methylsulfanylacetamide
CID 47077563
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CID 55136719
4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenol
CID 61484157
4-[(4-ethoxyphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 78878086
4-[(4-tert-butylphenoxy)methyl]-2-ethyl-1,3-thiazole
CID 64766048
1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 54955994
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]-3-[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]prop-2-enamide
CID 69206895
2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole
CID 81422379
(2-ethyl-1,3-thiazol-4-yl)methyl 4-(cyclopropanecarbonylamino)benzoate
CID 31601334
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate (CID 47077529) is methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate is CCc1nc(COc2ccc(NC(=O)OC)cc2)cs1.
What is the InChIKey of methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate?
The InChIKey is FQAXEZBPWIVGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-3-13-15-11(9-20-13)8-19-12-6-4-10(5-7-12)16-14(17)18-2/h4-7,9H,3,8H2,1-2H3,(H,16,17).
What are the key properties of methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate?
methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate has a molecular weight of 292.36 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]carbamate is sourced from PubChem (CID 47077529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).