1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea

C15H19N3O3S — CID 121122907

IUPAC1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2sc(C)nc2C)cc1OC
InChIInChI=1S/C15H19N3O3S/c1-9-14(22-10(2)17-9)8-16-15(19)18-11-5-6-12(20-3)13(7-11)21-4/h5-7H,8H2,1-4H3,(H2,16,18,19)
InChIKeyLFSFHIVJQQOBCT-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.10
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea

1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 121122907) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID121122907
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2sc(C)nc2C)cc1OC
InChIInChI=1S/C15H19N3O3S/c1-9-14(22-10(2)17-9)8-16-15(19)18-11-5-6-12(20-3)13(7-11)21-4/h5-7H,8H2,1-4H3,(H2,16,18,19)
InChIKeyLFSFHIVJQQOBCT-UHFFFAOYSA-N
XLogP3.10
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547310
1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 121122910
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4-dimethoxyphenyl)urea
CID 121123334
2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide
CID 118794258
1-(3,4-dimethoxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 971285
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide
CID 121122663
1-[4-(2-cyanopropan-2-yl)phenyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 71992691
1-[(4-bromophenyl)methyl]-3-(3,4-dimethoxyphenyl)urea
CID 108866298
1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 121123828
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131896511
1-(3,4-dimethoxyphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318416
1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214699

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea (CID 121122907) is 1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea is COc1ccc(NC(=O)NCc2sc(C)nc2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is LFSFHIVJQQOBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9-14(22-10(2)17-9)8-16-15(19)18-11-5-6-12(20-3)13(7-11)21-4/h5-7H,8H2,1-4H3,(H2,16,18,19).
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 321.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 121122907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).