1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea

C13H15N3OS — CID 110443866

IUPAC1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea
SMILESCN(C)C(=O)NCc1ccccc1-c1nccs1
InChIInChI=1S/C13H15N3OS/c1-16(2)13(17)15-9-10-5-3-4-6-11(10)12-14-7-8-18-12/h3-8H,9H2,1-2H3,(H,15,17)
InChIKeyUJWDHVJUARKFFP-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.58
Rot. Bonds3

About 1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea

1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea (PubChem CID 110443866) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea
PubChem CID110443866
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea
SMILESCN(C)C(=O)NCc1ccccc1-c1nccs1
InChIInChI=1S/C13H15N3OS/c1-16(2)13(17)15-9-10-5-3-4-6-11(10)12-14-7-8-18-12/h3-8H,9H2,1-2H3,(H,15,17)
InChIKeyUJWDHVJUARKFFP-UHFFFAOYSA-N
XLogP2.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]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 1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea (CID 110443866) is 1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea is CN(C)C(=O)NCc1ccccc1-c1nccs1.
What is the InChIKey of 1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea?
The InChIKey is UJWDHVJUARKFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-16(2)13(17)15-9-10-5-3-4-6-11(10)12-14-7-8-18-12/h3-8H,9H2,1-2H3,(H,15,17).
What are the key properties of 1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea?
1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea has a molecular weight of 261.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea is sourced from PubChem (CID 110443866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).