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

C15H19N3O3S — CID 121122910

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

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

1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 121122910) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID121122910
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
SMILESCOc1ccc(OC)c(NC(=O)NCc2sc(C)nc2C)c1
InChIInChI=1S/C15H19N3O3S/c1-9-14(22-10(2)17-9)8-16-15(19)18-12-7-11(20-3)5-6-13(12)21-4/h5-7H,8H2,1-4H3,(H2,16,18,19)
InChIKeyJDFSWUHOXDWZOW-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-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 121122907
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methoxy-4-methylphenoxy)propanamide
CID 121122663
(E)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 121122617
1-(1,2-benzoxazol-3-ylmethyl)-3-(2,5-dimethoxyphenyl)urea
CID 20901323
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131896511
1-(2,5-dimethoxyphenyl)-3-[[4-[(2E,4Z)-hexa-2,4-dien-3-yl]oxyphenyl]methyl]urea
CID 144581525
N-(2,5-dimethoxyphenyl)-2-[4-methyl-2-(naphthalen-1-ylmethyl)-1,3-thiazol-5-yl]acetamide
CID 84565259
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(2,5-dimethoxyphenyl)urea
CID 108877934
1-[(1-benzylpyrrol-2-yl)methyl]-3-(2,5-dimethoxyphenyl)urea
CID 20951008
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
1-(2,5-dimethoxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 23880823
1-(2,5-dimethoxyphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 17171312

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea (CID 121122910) is 1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea is COc1ccc(OC)c(NC(=O)NCc2sc(C)nc2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is JDFSWUHOXDWZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9-14(22-10(2)17-9)8-16-15(19)18-12-7-11(20-3)5-6-13(12)21-4/h5-7H,8H2,1-4H3,(H2,16,18,19).
What are the key properties of 1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea?
1-(2,5-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-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 121122910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).