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

C19H20N4OS — CID 46942713

IUPAC1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenylphenyl)urea
SMILESCN(C)Cc1csc(NC(=O)Nc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C19H20N4OS/c1-23(2)12-15-13-25-19(20-15)22-18(24)21-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H2,20,21,22,24)
InChIKeyJDNIYXFJOFFLQB-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.52
Rot. Bonds5

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

1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenylphenyl)urea (PubChem CID 46942713) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenylphenyl)urea.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenylphenyl)urea
PubChem CID46942713
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenylphenyl)urea
SMILESCN(C)Cc1csc(NC(=O)Nc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C19H20N4OS/c1-23(2)12-15-13-25-19(20-15)22-18(24)21-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H2,20,21,22,24)
InChIKeyJDNIYXFJOFFLQB-UHFFFAOYSA-N
XLogP4.52
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenylphenyl)urea?
The IUPAC name of 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenylphenyl)urea (CID 46942713) is 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenylphenyl)urea.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenylphenyl)urea?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenylphenyl)urea is CN(C)Cc1csc(NC(=O)Nc2ccccc2-c2ccccc2)n1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenylphenyl)urea?
The InChIKey is JDNIYXFJOFFLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-23(2)12-15-13-25-19(20-15)22-18(24)21-17-11-7-6-10-16(17)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3,(H2,20,21,22,24).
What are the key properties of 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenylphenyl)urea?
1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenylphenyl)urea has a molecular weight of 352.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenylphenyl)urea is sourced from PubChem (CID 46942713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).