1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea

C17H23N3O2S — CID 75477535

IUPAC1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCOC(C)c1cccc(NC(=O)NCC(C)c2nc(C)cs2)c1
InChIInChI=1S/C17H23N3O2S/c1-11(16-19-12(2)10-23-16)9-18-17(21)20-15-7-5-6-14(8-15)13(3)22-4/h5-8,10-11,13H,9H2,1-4H3,(H2,18,20,21)
InChIKeyMBDMIBLYBUSVBC-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.08
Rot. Bonds6

About 1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea

1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea (PubChem CID 75477535) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
PubChem CID75477535
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
SMILESCOC(C)c1cccc(NC(=O)NCC(C)c2nc(C)cs2)c1
InChIInChI=1S/C17H23N3O2S/c1-11(16-19-12(2)10-23-16)9-18-17(21)20-15-7-5-6-14(8-15)13(3)22-4/h5-8,10-11,13H,9H2,1-4H3,(H2,18,20,21)
InChIKeyMBDMIBLYBUSVBC-UHFFFAOYSA-N
XLogP4.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The IUPAC name of 1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea (CID 75477535) is 1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea.
What is the SMILES notation for 1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The canonical SMILES for 1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea is COC(C)c1cccc(NC(=O)NCC(C)c2nc(C)cs2)c1.
What is the InChIKey of 1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
The InChIKey is MBDMIBLYBUSVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-11(16-19-12(2)10-23-16)9-18-17(21)20-15-7-5-6-14(8-15)13(3)22-4/h5-8,10-11,13H,9H2,1-4H3,(H2,18,20,21).
What are the key properties of 1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea?
1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea has a molecular weight of 333.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea is sourced from PubChem (CID 75477535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).