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

C19H20N4O2S — CID 46942639

IUPAC1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenoxyphenyl)urea
SMILESCN(C)Cc1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C19H20N4O2S/c1-23(2)12-14-13-26-19(20-14)22-18(24)21-16-10-6-7-11-17(16)25-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H2,20,21,22,24)
InChIKeyMFRUGTUEYXIWFZ-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.64
Rot. Bonds6

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

1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenoxyphenyl)urea (PubChem CID 46942639) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenoxyphenyl)urea
PubChem CID46942639
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenoxyphenyl)urea
SMILESCN(C)Cc1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C19H20N4O2S/c1-23(2)12-14-13-26-19(20-14)22-18(24)21-16-10-6-7-11-17(16)25-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H2,20,21,22,24)
InChIKeyMFRUGTUEYXIWFZ-UHFFFAOYSA-N
XLogP4.64
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenoxyphenyl)urea?
The IUPAC name of 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenoxyphenyl)urea (CID 46942639) is 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenoxyphenyl)urea.
What is the SMILES notation for 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenoxyphenyl)urea?
The canonical SMILES for 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenoxyphenyl)urea is CN(C)Cc1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenoxyphenyl)urea?
The InChIKey is MFRUGTUEYXIWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-23(2)12-14-13-26-19(20-14)22-18(24)21-16-10-6-7-11-17(16)25-15-8-4-3-5-9-15/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-phenoxyphenyl)urea?
1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenoxyphenyl)urea has a molecular weight of 368.46 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenoxyphenyl)urea is sourced from PubChem (CID 46942639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).