1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea

C22H27N3O3S — CID 46009751

IUPAC1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
SMILESCOCCN(Cc1csc(COc2cccc3ccccc23)n1)C(=O)NC(C)C
InChIInChI=1S/C22H27N3O3S/c1-16(2)23-22(26)25(11-12-27-3)13-18-15-29-21(24-18)14-28-20-10-6-8-17-7-4-5-9-19(17)20/h4-10,15-16H,11-14H2,1-3H3,(H,23,26)
InChIKeyHKCRXDDDKQPHCB-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.44
Rot. Bonds9

About 1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea

1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea (PubChem CID 46009751) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
PubChem CID46009751
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
SMILESCOCCN(Cc1csc(COc2cccc3ccccc23)n1)C(=O)NC(C)C
InChIInChI=1S/C22H27N3O3S/c1-16(2)23-22(26)25(11-12-27-3)13-18-15-29-21(24-18)14-28-20-10-6-8-17-7-4-5-9-19(17)20/h4-10,15-16H,11-14H2,1-3H3,(H,23,26)
InChIKeyHKCRXDDDKQPHCB-UHFFFAOYSA-N
XLogP4.44
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
CID 46009747
1-(3-methoxypropyl)-1-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
CID 46009675
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 46008456
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008079
1-[(2R)-butan-2-yl]-1-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
CID 93166017
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)-3-methylbutanamide
CID 46009109
4-fluoro-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008063
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)acetamide
CID 46150389
N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 46009473
3-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008078
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 46009064
N-(2-methoxyethyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide
CID 46009187

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea (CID 46009751) is 1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea is COCCN(Cc1csc(COc2cccc3ccccc23)n1)C(=O)NC(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea?
The InChIKey is HKCRXDDDKQPHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-16(2)23-22(26)25(11-12-27-3)13-18-15-29-21(24-18)14-28-20-10-6-8-17-7-4-5-9-19(17)20/h4-10,15-16H,11-14H2,1-3H3,(H,23,26).
What are the key properties of 1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea?
1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea has a molecular weight of 413.54 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 46009751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).