1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea

C13H13N3O2S — CID 104580537

IUPAC1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCc2cncs2)cc1
InChIInChI=1S/C13H13N3O2S/c1-9(17)10-2-4-11(5-3-10)16-13(18)15-7-12-6-14-8-19-12/h2-6,8H,7H2,1H3,(H2,15,16,18)
InChIKeyRIVJVHKCPKATTB-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.67
Rot. Bonds4

About 1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea

1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea (PubChem CID 104580537) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea
PubChem CID104580537
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCc2cncs2)cc1
InChIInChI=1S/C13H13N3O2S/c1-9(17)10-2-4-11(5-3-10)16-13(18)15-7-12-6-14-8-19-12/h2-6,8H,7H2,1H3,(H2,15,16,18)
InChIKeyRIVJVHKCPKATTB-UHFFFAOYSA-N
XLogP2.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)-3-(pyridin-4-ylmethyl)urea
CID 971154
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
1-(4-acetylphenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 114957408
1-(4-acetylphenyl)-3-[(1-methylpyrazol-3-yl)methyl]urea
CID 82874851
1-(4-acetylphenyl)-3-(1H-pyrazol-4-ylmethyl)urea
CID 61347792
1-(4-acetylphenyl)-3-(thiophen-3-ylmethyl)urea
CID 60765071
1-(4-acetylphenyl)-3-(1,2-benzoxazol-3-ylmethyl)urea
CID 126458830
1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030
methyl 2-[(4-acetylphenyl)carbamoylamino]acetate
CID 39733012
1-(4-acetylphenyl)-3-[(1-methylcyclobutyl)methyl]urea
CID 103736201
1-(4-acetylphenyl)-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111425519
1-(4-acetylphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884380

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea (CID 104580537) is 1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea is CC(=O)c1ccc(NC(=O)NCc2cncs2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea?
The InChIKey is RIVJVHKCPKATTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-9(17)10-2-4-11(5-3-10)16-13(18)15-7-12-6-14-8-19-12/h2-6,8H,7H2,1H3,(H2,15,16,18).
What are the key properties of 1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea?
1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea has a molecular weight of 275.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(1,3-thiazol-5-ylmethyl)urea is sourced from PubChem (CID 104580537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).