1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea

C12H10ClN3OS — CID 108904701

IUPAC1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(N/C=C/c1ccccc1Cl)Nc1nccs1
InChIInChI=1S/C12H10ClN3OS/c13-10-4-2-1-3-9(10)5-6-14-11(17)16-12-15-7-8-18-12/h1-8H,(H2,14,15,16,17)/b6-5+
InChIKeyYCNYPFWCVKOMRC-AATRIKPKSA-N
MW279.75 g/mol
LogP3.59
Rot. Bonds3

About 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea

1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 108904701) has the molecular formula C12H10ClN3OS and a molecular weight of 279.75 g/mol. Its IUPAC name is 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID108904701
Molecular FormulaC12H10ClN3OS
Molecular Weight279.75 g/mol
Exact Mass279.02
IUPAC Name1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(N/C=C/c1ccccc1Cl)Nc1nccs1
InChIInChI=1S/C12H10ClN3OS/c13-10-4-2-1-3-9(10)5-6-14-11(17)16-12-15-7-8-18-12/h1-8H,(H2,14,15,16,17)/b6-5+
InChIKeyYCNYPFWCVKOMRC-AATRIKPKSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904832
1-(2-chlorophenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904209
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-cyclododecylurea
CID 108904684
1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea
CID 108883461
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxy-4-methylphenyl)urea
CID 108904840
2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
1-(1-adamantyl)-3-[(E)-2-(2-chlorophenyl)ethenyl]urea
CID 108904821
3-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 1345259
3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 154975421
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108904876
1-(3-chloro-4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 99831962

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea (CID 108904701) is 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea is O=C(N/C=C/c1ccccc1Cl)Nc1nccs1.
What is the InChIKey of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is YCNYPFWCVKOMRC-AATRIKPKSA-N. The full InChI is InChI=1S/C12H10ClN3OS/c13-10-4-2-1-3-9(10)5-6-14-11(17)16-12-15-7-8-18-12/h1-8H,(H2,14,15,16,17)/b6-5+.
What are the key properties of 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea?
1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 279.75 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(2-chlorophenyl)ethenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 108904701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).