1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea

C19H25N3O2S — CID 112825086

IUPAC1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
SMILESCOCCN(Cc1ccccc1)C(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C19H25N3O2S/c1-24-13-12-22(14-15-8-4-2-5-9-15)19(23)21-18-20-16-10-6-3-7-11-17(16)25-18/h2,4-5,8-9H,3,6-7,10-14H2,1H3,(H,20,21,23)
InChIKeyLHVSCMWRFQULLJ-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.09
Rot. Bonds6

About 1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea

1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea (PubChem CID 112825086) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea.

Molecular Properties

Compound Name1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
PubChem CID112825086
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea
SMILESCOCCN(Cc1ccccc1)C(=O)Nc1nc2c(s1)CCCCC2
InChIInChI=1S/C19H25N3O2S/c1-24-13-12-22(14-15-8-4-2-5-9-15)19(23)21-18-20-16-10-6-3-7-11-17(16)25-18/h2,4-5,8-9H,3,6-7,10-14H2,1H3,(H,20,21,23)
InChIKeyLHVSCMWRFQULLJ-UHFFFAOYSA-N
XLogP4.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-1-(2-methoxyethyl)-3-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]urea
CID 86897173
2-N-benzyl-2-N-methyl-1-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 2545950
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
1-benzyl-3-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-1-(2-methoxyethyl)urea
CID 112825213
2-[benzyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 127020353
1-benzyl-1-(2-methoxyethyl)-3-(2-methylsulfanylphenyl)urea
CID 86987084
1-benzyl-1-(4-methoxybutyl)-3-(5-phenyl-1,3-thiazol-2-yl)urea
CID 60583091
2-(methoxymethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 48574705
4-[benzyl(propan-2-yl)sulfamoyl]-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 43947094
3-(benzylamino)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 141421085
(2R)-2-amino-4-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 87753791
4-(2-methoxyethylsulfamoyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 43054170

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea?
The IUPAC name of 1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea (CID 112825086) is 1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea.
What is the SMILES notation for 1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea?
The canonical SMILES for 1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea is COCCN(Cc1ccccc1)C(=O)Nc1nc2c(s1)CCCCC2.
What is the InChIKey of 1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea?
The InChIKey is LHVSCMWRFQULLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-24-13-12-22(14-15-8-4-2-5-9-15)19(23)21-18-20-16-10-6-3-7-11-17(16)25-18/h2,4-5,8-9H,3,6-7,10-14H2,1H3,(H,20,21,23).
What are the key properties of 1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea?
1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea has a molecular weight of 359.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(2-methoxyethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea is sourced from PubChem (CID 112825086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).