1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

C14H15N3O2S — CID 61481423

IUPAC1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCc2cnc(C)s2)c1
InChIInChI=1S/C14H15N3O2S/c1-9(18)11-4-3-5-12(6-11)17-14(19)16-8-13-7-15-10(2)20-13/h3-7H,8H2,1-2H3,(H2,16,17,19)
InChIKeyQKTBWDWXUKOHKN-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.98
Rot. Bonds4

About 1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea

1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 61481423) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID61481423
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCc2cnc(C)s2)c1
InChIInChI=1S/C14H15N3O2S/c1-9(18)11-4-3-5-12(6-11)17-14(19)16-8-13-7-15-10(2)20-13/h3-7H,8H2,1-2H3,(H2,16,17,19)
InChIKeyQKTBWDWXUKOHKN-UHFFFAOYSA-N
XLogP2.98
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842157
1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842053
N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 86836025
3-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzamide
CID 54868850
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea
CID 86842046
1-(3-acetylphenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)urea
CID 61345461
3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]benzoic acid
CID 63113715
1-(1,3-benzothiazol-2-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86836959
N-(3-acetylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 18160954
N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 86835946
2-[[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]methyl]pyridine-4-carboxylic acid
CID 114325221
3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86835966

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 61481423) is 1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is CC(=O)c1cccc(NC(=O)NCc2cnc(C)s2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is QKTBWDWXUKOHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9(18)11-4-3-5-12(6-11)17-14(19)16-8-13-7-15-10(2)20-13/h3-7H,8H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 289.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 61481423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).