2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide

C16H19N3O3S — CID 154668811

IUPAC2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESNCC(=O)Nc1nc(-c2cccc(OCC3CCOC3)c2)cs1
InChIInChI=1S/C16H19N3O3S/c17-7-15(20)19-16-18-14(10-23-16)12-2-1-3-13(6-12)22-9-11-4-5-21-8-11/h1-3,6,10-11H,4-5,7-9,17H2,(H,18,19,20)
InChIKeyCQUJRAKOZISNKO-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.12
Rot. Bonds6

About 2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide

2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 154668811) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID154668811
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESNCC(=O)Nc1nc(-c2cccc(OCC3CCOC3)c2)cs1
InChIInChI=1S/C16H19N3O3S/c17-7-15(20)19-16-18-14(10-23-16)12-2-1-3-13(6-12)22-9-11-4-5-21-8-11/h1-3,6,10-11H,4-5,7-9,17H2,(H,18,19,20)
InChIKeyCQUJRAKOZISNKO-UHFFFAOYSA-N
XLogP2.12
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[2-oxo-2-[[4-[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]amino]ethyl]pyrrole-3-carboxamide
CID 154668170
2-amino-N-[4-[3-(oxan-4-yl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 154669651
2-(3-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196817
[2-oxo-2-[[4-[3-(oxolan-3-yloxymethyl)phenyl]-1,3-thiazol-2-yl]amino]ethyl] carbamate
CID 175189919
2-amino-N-[4-[3-(4-sulfanylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 154668523
2-amino-N-[4-[3-[3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 155026656
2-amino-N-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 155037559
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 3647343
2-(4-ethylphenoxy)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196482
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(3-fluorophenoxy)acetamide
CID 8800923
1-(cyclopropylidene-methyl-oxo-λ6-sulfanyl)-N-[2-oxo-3-[4-[3-[[(3R)-oxolan-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]propyl]pyrrole-3-carboxamide
CID 154668167
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenoxy)acetamide
CID 28861553

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide (CID 154668811) is 2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide is NCC(=O)Nc1nc(-c2cccc(OCC3CCOC3)c2)cs1.
What is the InChIKey of 2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CQUJRAKOZISNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c17-7-15(20)19-16-18-14(10-23-16)12-2-1-3-13(6-12)22-9-11-4-5-21-8-11/h1-3,6,10-11H,4-5,7-9,17H2,(H,18,19,20).
What are the key properties of 2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 333.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[3-(oxolan-3-ylmethoxy)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 154668811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).