1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea

C13H15N3OS — CID 162459036

IUPAC1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea
SMILESCCc1ccc(N(Cc2nccs2)C(N)=O)cc1
InChIInChI=1S/C13H15N3OS/c1-2-10-3-5-11(6-4-10)16(13(14)17)9-12-15-7-8-18-12/h3-8H,2,9H2,1H3,(H2,14,17)
InChIKeyXMROEGIMBRCJNF-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.79
Rot. Bonds4

About 1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea

1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea (PubChem CID 162459036) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea
PubChem CID162459036
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea
SMILESCCc1ccc(N(Cc2nccs2)C(N)=O)cc1
InChIInChI=1S/C13H15N3OS/c1-2-10-3-5-11(6-4-10)16(13(14)17)9-12-15-7-8-18-12/h3-8H,2,9H2,1H3,(H2,14,17)
InChIKeyXMROEGIMBRCJNF-UHFFFAOYSA-N
XLogP2.79
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea?
The IUPAC name of 1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea (CID 162459036) is 1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea is CCc1ccc(N(Cc2nccs2)C(N)=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea?
The InChIKey is XMROEGIMBRCJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-10-3-5-11(6-4-10)16(13(14)17)9-12-15-7-8-18-12/h3-8H,2,9H2,1H3,(H2,14,17).
What are the key properties of 1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea?
1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea has a molecular weight of 261.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-1-(1,3-thiazol-2-ylmethyl)urea is sourced from PubChem (CID 162459036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).