1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea

C18H23N3O3S — CID 126776941

IUPAC1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea
SMILESCOC1(CNC(=O)Nc2nc(Cc3ccccc3)cs2)CCOCC1
InChIInChI=1S/C18H23N3O3S/c1-23-18(7-9-24-10-8-18)13-19-16(22)21-17-20-15(12-25-17)11-14-5-3-2-4-6-14/h2-6,12H,7-11,13H2,1H3,(H2,19,20,21,22)
InChIKeyCTFCNXJINGFVDY-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.05
Rot. Bonds6

About 1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea

1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea (PubChem CID 126776941) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea
PubChem CID126776941
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea
SMILESCOC1(CNC(=O)Nc2nc(Cc3ccccc3)cs2)CCOCC1
InChIInChI=1S/C18H23N3O3S/c1-23-18(7-9-24-10-8-18)13-19-16(22)21-17-20-15(12-25-17)11-14-5-3-2-4-6-14/h2-6,12H,7-11,13H2,1H3,(H2,19,20,21,22)
InChIKeyCTFCNXJINGFVDY-UHFFFAOYSA-N
XLogP3.05
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea?
The IUPAC name of 1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea (CID 126776941) is 1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea.
What is the SMILES notation for 1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea?
The canonical SMILES for 1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea is COC1(CNC(=O)Nc2nc(Cc3ccccc3)cs2)CCOCC1.
What is the InChIKey of 1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea?
The InChIKey is CTFCNXJINGFVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-23-18(7-9-24-10-8-18)13-19-16(22)21-17-20-15(12-25-17)11-14-5-3-2-4-6-14/h2-6,12H,7-11,13H2,1H3,(H2,19,20,21,22).
What are the key properties of 1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea?
1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea has a molecular weight of 361.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-1,3-thiazol-2-yl)-3-[(4-methoxyoxan-4-yl)methyl]urea is sourced from PubChem (CID 126776941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).