1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea

C15H17N3O2S — CID 108905913

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
SMILESCOc1cccc(/C=C/NC(=O)Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C15H17N3O2S/c1-10-11(2)21-15(17-10)18-14(19)16-8-7-12-5-4-6-13(9-12)20-3/h4-9H,1-3H3,(H2,16,17,18,19)/b8-7+
InChIKeyIHDXLCGMDOFVBZ-BQYQJAHWSA-N
MW303.39 g/mol
LogP3.56
Rot. Bonds4

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea

1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea (PubChem CID 108905913) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
PubChem CID108905913
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
SMILESCOc1cccc(/C=C/NC(=O)Nc2nc(C)c(C)s2)c1
InChIInChI=1S/C15H17N3O2S/c1-10-11(2)21-15(17-10)18-14(19)16-8-7-12-5-4-6-13(9-12)20-3/h4-9H,1-3H3,(H2,16,17,18,19)/b8-7+
InChIKeyIHDXLCGMDOFVBZ-BQYQJAHWSA-N
XLogP3.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 8797787
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-phenylethenyl]urea
CID 108903306
N'-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-methoxyphenyl)oxamide
CID 108519615
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905842
1-(2-hydroxy-4-methylphenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905958
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(2,3,4-trifluorophenyl)urea
CID 108905985
1-(2-fluorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905825
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-nitrophenyl)urea
CID 108905776
1-(2,4-dichlorophenyl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea
CID 108905710
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-methoxyphenyl)urea
CID 108906934
methyl 3-[[(E)-2-(3-methoxyphenyl)ethenyl]carbamoylamino]propanoate
CID 108905996
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,4-dimethoxybenzamide
CID 903456

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea (CID 108905913) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea is COc1cccc(/C=C/NC(=O)Nc2nc(C)c(C)s2)c1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
The InChIKey is IHDXLCGMDOFVBZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-11(2)21-15(17-10)18-14(19)16-8-7-12-5-4-6-13(9-12)20-3/h4-9H,1-3H3,(H2,16,17,18,19)/b8-7+.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea has a molecular weight of 303.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(E)-2-(3-methoxyphenyl)ethenyl]urea is sourced from PubChem (CID 108905913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).