1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea

C16H20N4O3S — CID 72889978

IUPAC1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCOc1ccc(C(C)=O)cc1NC(=O)NCc1csc(N(C)C)n1
InChIInChI=1S/C16H20N4O3S/c1-10(21)11-5-6-14(23-4)13(7-11)19-15(22)17-8-12-9-24-16(18-12)20(2)3/h5-7,9H,8H2,1-4H3,(H2,17,19,22)
InChIKeyYOQGCQAUJUNLAW-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.74
Rot. Bonds6

About 1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea

1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea (PubChem CID 72889978) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea
PubChem CID72889978
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea
SMILESCOc1ccc(C(C)=O)cc1NC(=O)NCc1csc(N(C)C)n1
InChIInChI=1S/C16H20N4O3S/c1-10(21)11-5-6-14(23-4)13(7-11)19-15(22)17-8-12-9-24-16(18-12)20(2)3/h5-7,9H,8H2,1-4H3,(H2,17,19,22)
InChIKeyYOQGCQAUJUNLAW-UHFFFAOYSA-N
XLogP2.74
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea with MolForge

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 91967706
4-methoxy-N-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]benzamide
CID 78892807
4-methoxy-N,N-dimethyl-3-(propylcarbamoylamino)benzamide
CID 47325512
4-methoxy-N,N-dimethyl-3-(pyridin-3-ylmethylcarbamoylamino)benzamide
CID 60543450
[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea
CID 84593918
2-[(3,4-dimethoxyphenyl)methyl]-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide
CID 111600738
4-methoxy-3-(1,2-oxazol-5-ylmethylcarbamoylamino)benzoic acid
CID 106421198
4-methoxy-3-(propylcarbamoylamino)benzoic acid
CID 63744455
2-[(3,4-dimethoxyphenyl)methyl]-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-ethylguanidine
CID 111964417
3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea
CID 72842905
N-[4-[(4-acetyl-2-methoxyphenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 55579144

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea?
The IUPAC name of 1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea (CID 72889978) is 1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea.
What is the SMILES notation for 1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea?
The canonical SMILES for 1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea is COc1ccc(C(C)=O)cc1NC(=O)NCc1csc(N(C)C)n1.
What is the InChIKey of 1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea?
The InChIKey is YOQGCQAUJUNLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-10(21)11-5-6-14(23-4)13(7-11)19-15(22)17-8-12-9-24-16(18-12)20(2)3/h5-7,9H,8H2,1-4H3,(H2,17,19,22).
What are the key properties of 1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea?
1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea has a molecular weight of 348.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea is sourced from PubChem (CID 72889978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).