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

C18H19N3O4S — CID 121123831

IUPAC1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
SMILESCOc1cc(NC(=O)NCc2sc(-c3ccco3)nc2C)cc(OC)c1
InChIInChI=1S/C18H19N3O4S/c1-11-16(26-17(20-11)15-5-4-6-25-15)10-19-18(22)21-12-7-13(23-2)9-14(8-12)24-3/h4-9H,10H2,1-3H3,(H2,19,21,22)
InChIKeyMYNVZPLLFRAMMA-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.05
Rot. Bonds6

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

1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea (PubChem CID 121123831) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
PubChem CID121123831
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Name1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
SMILESCOc1cc(NC(=O)NCc2sc(-c3ccco3)nc2C)cc(OC)c1
InChIInChI=1S/C18H19N3O4S/c1-11-16(26-17(20-11)15-5-4-6-25-15)10-19-18(22)21-12-7-13(23-2)9-14(8-12)24-3/h4-9H,10H2,1-3H3,(H2,19,21,22)
InChIKeyMYNVZPLLFRAMMA-UHFFFAOYSA-N
XLogP4.05
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 121123828
1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123811
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,5-dimethoxyphenyl)urea
CID 121123332
1-[(3,4-dimethoxyphenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795690
1-(2-ethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123829
1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795691
1-(3-methoxyphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547272
1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121123827
5-chloro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzamide
CID 121123469
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-methylbutanamide
CID 121123522
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzamide
CID 121123528
N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-phenoxypropanamide
CID 121123570

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea (CID 121123831) is 1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea is COc1cc(NC(=O)NCc2sc(-c3ccco3)nc2C)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea?
The InChIKey is MYNVZPLLFRAMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-11-16(26-17(20-11)15-5-4-6-25-15)10-19-18(22)21-12-7-13(23-2)9-14(8-12)24-3/h4-9H,10H2,1-3H3,(H2,19,21,22).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea?
1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea has a molecular weight of 373.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea is sourced from PubChem (CID 121123831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).