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

C19H21N3O5S — CID 121123828

IUPAC1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCc2sc(-c3ccco3)nc2C)cc(OC)c1OC
InChIInChI=1S/C19H21N3O5S/c1-11-16(28-18(21-11)13-6-5-7-27-13)10-20-19(23)22-12-8-14(24-2)17(26-4)15(9-12)25-3/h5-9H,10H2,1-4H3,(H2,20,22,23)
InChIKeyIJCLEDBURIHSSK-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.06
Rot. Bonds7

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

1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 121123828) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID121123828
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)NCc2sc(-c3ccco3)nc2C)cc(OC)c1OC
InChIInChI=1S/C19H21N3O5S/c1-11-16(28-18(21-11)13-6-5-7-27-13)10-20-19(23)22-12-8-14(24-2)17(26-4)15(9-12)25-3/h5-9H,10H2,1-4H3,(H2,20,22,23)
InChIKeyIJCLEDBURIHSSK-UHFFFAOYSA-N
XLogP4.06
TPSA94.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123831
1-[(3,4-dimethoxyphenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795690
1-(3-fluoro-4-methylphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123811
1-(2-ethoxyphenyl)-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123829
5-chloro-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzamide
CID 121123469
2-(4-acetyl-2-methoxyphenoxy)-N-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]acetamide
CID 71795680
1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121123827
1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 91625574
1-[(4-fluorophenyl)methyl]-3-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 71795691
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
1-(3,4-dimethoxyphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547310

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea (CID 121123828) is 1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)NCc2sc(-c3ccco3)nc2C)cc(OC)c1OC.
What is the InChIKey of 1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is IJCLEDBURIHSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-11-16(28-18(21-11)13-6-5-7-27-13)10-20-19(23)22-12-8-14(24-2)17(26-4)15(9-12)25-3/h5-9H,10H2,1-4H3,(H2,20,22,23).
What are the key properties of 1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea?
1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 403.46 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(furan-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 121123828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).