N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide

C17H21ClN2O3S — CID 46008893

IUPACN-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide
SMILESCCCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)COC
InChIInChI=1S/C17H21ClN2O3S/c1-3-7-20(17(21)11-22-2)9-14-12-24-16(19-14)10-23-15-6-4-5-13(18)8-15/h4-6,8,12H,3,7,9-11H2,1-2H3
InChIKeyZTIWPMXDUSZXBX-UHFFFAOYSA-N
MW368.89 g/mol
LogP3.76
Rot. Bonds9

About N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide

N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide (PubChem CID 46008893) has the molecular formula C17H21ClN2O3S and a molecular weight of 368.89 g/mol. Its IUPAC name is N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide.

Molecular Properties

Compound NameN-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide
PubChem CID46008893
Molecular FormulaC17H21ClN2O3S
Molecular Weight368.89 g/mol
Exact Mass368.10
IUPAC NameN-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide
SMILESCCCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)COC
InChIInChI=1S/C17H21ClN2O3S/c1-3-7-20(17(21)11-22-2)9-14-12-24-16(19-14)10-23-15-6-4-5-13(18)8-15/h4-6,8,12H,3,7,9-11H2,1-2H3
InChIKeyZTIWPMXDUSZXBX-UHFFFAOYSA-N
XLogP3.76
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide
CID 46009131
2-methoxy-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 42837458
2-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-prop-2-enylacetamide
CID 24714836
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46009286
N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 24714209
N-[(2R)-butan-2-yl]-4-chloro-N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 93165317
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46008456
N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-propylbenzamide
CID 42682532
N-[(2R)-butan-2-yl]-N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-methylbenzamide
CID 93165309
3-ethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-1-propylurea
CID 24714684
1-[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82304946
N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
CID 24714868

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide?
The IUPAC name of N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide (CID 46008893) is N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide.
What is the SMILES notation for N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide?
The canonical SMILES for N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide is CCCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)COC.
What is the InChIKey of N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide?
The InChIKey is ZTIWPMXDUSZXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3S/c1-3-7-20(17(21)11-22-2)9-14-12-24-16(19-14)10-23-15-6-4-5-13(18)8-15/h4-6,8,12H,3,7,9-11H2,1-2H3.
What are the key properties of N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide?
N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide has a molecular weight of 368.89 g/mol, XLogP of 3.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-methoxy-N-propylacetamide is sourced from PubChem (CID 46008893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).