3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea

C13H15N3O2S — CID 70519026

IUPAC3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea
SMILESCOc1cccc(-c2cc(NC(=O)N(C)C)sn2)c1
InChIInChI=1S/C13H15N3O2S/c1-16(2)13(17)14-12-8-11(15-19-12)9-5-4-6-10(7-9)18-3/h4-8H,1-3H3,(H,14,17)
InChIKeyHEVMLSPZNXWHGJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.91
Rot. Bonds3

About 3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea

3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea (PubChem CID 70519026) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea
PubChem CID70519026
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea
SMILESCOc1cccc(-c2cc(NC(=O)N(C)C)sn2)c1
InChIInChI=1S/C13H15N3O2S/c1-16(2)13(17)14-12-8-11(15-19-12)9-5-4-6-10(7-9)18-3/h4-8H,1-3H3,(H,14,17)
InChIKeyHEVMLSPZNXWHGJ-UHFFFAOYSA-N
XLogP2.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanone
CID 46785544
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 52904761
N-[2-(dimethylamino)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 42758729
N-(4-acetamidophenyl)-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089505
1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
CID 58243120
methyl 2-ethyl-6-(3-methoxyphenyl)pyridine-3-carboxylate
CID 134280348
2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 82118916
methyl 6-(3-methoxyphenyl)pyrazine-2-carboxylate
CID 167450731
4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid
CID 13073206
6-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 174777628
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea?
The IUPAC name of 3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea (CID 70519026) is 3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea is COc1cccc(-c2cc(NC(=O)N(C)C)sn2)c1.
What is the InChIKey of 3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea?
The InChIKey is HEVMLSPZNXWHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-16(2)13(17)14-12-8-11(15-19-12)9-5-4-6-10(7-9)18-3/h4-8H,1-3H3,(H,14,17).
What are the key properties of 3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea?
3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea has a molecular weight of 277.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxyphenyl)-1,2-thiazol-5-yl]-1,1-dimethylurea is sourced from PubChem (CID 70519026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).