[2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate

C17H19N3O5S — CID 175189919

IUPAC[2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate
SMILESNC(=O)OCC(=O)Nc1nc(-c2cccc(COC3CCOC3)c2)cs1
InChIInChI=1S/C17H19N3O5S/c18-16(22)25-9-15(21)20-17-19-14(10-26-17)12-3-1-2-11(6-12)7-24-13-4-5-23-8-13/h1-3,6,10,13H,4-5,7-9H2,(H2,18,22)(H,19,20,21)
InChIKeyUKNUAYNKLZPYEU-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.15
Rot. Bonds7

About [2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate

[2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate (PubChem CID 175189919) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is [2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate.

Molecular Properties

Compound Name[2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate
PubChem CID175189919
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name[2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate
SMILESNC(=O)OCC(=O)Nc1nc(-c2cccc(COC3CCOC3)c2)cs1
InChIInChI=1S/C17H19N3O5S/c18-16(22)25-9-15(21)20-17-19-14(10-26-17)12-3-1-2-11(6-12)7-24-13-4-5-23-8-13/h1-3,6,10,13H,4-5,7-9H2,(H2,18,22)(H,19,20,21)
InChIKeyUKNUAYNKLZPYEU-UHFFFAOYSA-N
XLogP2.15
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate with MolForge

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Related Compounds

4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-amine
CID 155037577
N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133372654
[2-[[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl] carbamate
CID 175186749
2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 154668811
2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 154669651
4-methoxy-5-[3-(oxolan-3-yloxymethyl)phenyl]thiophene-2-carboxylic acid
CID 138032297
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-cyclopentylacetate
CID 2340359
2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 164888892
N-[6-(oxolan-3-yloxymethyl)-2-pyridinyl]acetamide
CID 154658060
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28861460
[2-oxo-2-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]amino]ethyl] 3-phenylpropanoate
CID 23851559
3-[[(3S)-oxolan-3-yl]oxymethyl]benzaldehyde
CID 150049092

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate?
The IUPAC name of [2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate (CID 175189919) is [2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate.
What is the SMILES notation for [2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate?
The canonical SMILES for [2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate is NC(=O)OCC(=O)Nc1nc(-c2cccc(COC3CCOC3)c2)cs1.
What is the InChIKey of [2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate?
The InChIKey is UKNUAYNKLZPYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c18-16(22)25-9-15(21)20-17-19-14(10-26-17)12-3-1-2-11(6-12)7-24-13-4-5-23-8-13/h1-3,6,10,13H,4-5,7-9H2,(H2,18,22)(H,19,20,21).
What are the key properties of [2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate?
[2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate has a molecular weight of 377.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate is sourced from PubChem (CID 175189919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).