1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea

C20H22N4OS — CID 46943617

IUPAC1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea
SMILESCN(C)Cc1csc(NC(=O)Nc2ccccc2Cc2ccccc2)n1
InChIInChI=1S/C20H22N4OS/c1-24(2)13-17-14-26-20(21-17)23-19(25)22-18-11-7-6-10-16(18)12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H2,21,22,23,25)
InChIKeyWPMDKNANZGOFDT-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.44
Rot. Bonds6

About 1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea

1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea (PubChem CID 46943617) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is 1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea
PubChem CID46943617
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea
SMILESCN(C)Cc1csc(NC(=O)Nc2ccccc2Cc2ccccc2)n1
InChIInChI=1S/C20H22N4OS/c1-24(2)13-17-14-26-20(21-17)23-19(25)22-18-11-7-6-10-16(18)12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H2,21,22,23,25)
InChIKeyWPMDKNANZGOFDT-UHFFFAOYSA-N
XLogP4.44
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea (CID 46943617) is 1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea is CN(C)Cc1csc(NC(=O)Nc2ccccc2Cc2ccccc2)n1.
What is the InChIKey of 1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea?
The InChIKey is WPMDKNANZGOFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-24(2)13-17-14-26-20(21-17)23-19(25)22-18-11-7-6-10-16(18)12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H2,21,22,23,25).
What are the key properties of 1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea?
1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea has a molecular weight of 366.49 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylphenyl)-3-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 46943617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).