1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea

C18H19N3O2S — CID 86790484

IUPAC1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCC(CNC(=O)NC(c1ccccc1)c1ccco1)c1nccs1
InChIInChI=1S/C18H19N3O2S/c1-13(17-19-9-11-24-17)12-20-18(22)21-16(15-8-5-10-23-15)14-6-3-2-4-7-14/h2-11,13,16H,12H2,1H3,(H2,20,21,22)
InChIKeyJVJCAODLRXKKGE-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.93
Rot. Bonds6

About 1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea

1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea (PubChem CID 86790484) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
PubChem CID86790484
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
SMILESCC(CNC(=O)NC(c1ccccc1)c1ccco1)c1nccs1
InChIInChI=1S/C18H19N3O2S/c1-13(17-19-9-11-24-17)12-20-18(22)21-16(15-8-5-10-23-15)14-6-3-2-4-7-14/h2-11,13,16H,12H2,1H3,(H2,20,21,22)
InChIKeyJVJCAODLRXKKGE-UHFFFAOYSA-N
XLogP3.93
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[furan-2-yl(phenyl)methyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111454135
N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585128
5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid
CID 122009852
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
2-hydroxy-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428975
[furan-2-yl(phenyl)methyl]urea
CID 14906081
2-(2-hydroxyphenyl)-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583126
(2S)-N-(2-fluoroethyl)-2-[[(S)-furan-2-yl(phenyl)methyl]carbamoylamino]propanamide
CID 124854260
2-fluoro-N-[2-(1,3-thiazol-2-yl)propyl]benzamide
CID 113428973
1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
CID 113429643
1-[2-(4-methyl-2-pyridinyl)pyrazol-3-yl]-3-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea
CID 99858547
2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 8755412

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea (CID 86790484) is 1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea is CC(CNC(=O)NC(c1ccccc1)c1ccco1)c1nccs1.
What is the InChIKey of 1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea?
The InChIKey is JVJCAODLRXKKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13(17-19-9-11-24-17)12-20-18(22)21-16(15-8-5-10-23-15)14-6-3-2-4-7-14/h2-11,13,16H,12H2,1H3,(H2,20,21,22).
What are the key properties of 1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea?
1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea has a molecular weight of 341.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 86790484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).