1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea

C14H17N3OS — CID 110443864

IUPAC1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea
SMILESCc1csc(-c2ccccc2CNC(=O)N(C)C)n1
InChIInChI=1S/C14H17N3OS/c1-10-9-19-13(16-10)12-7-5-4-6-11(12)8-15-14(18)17(2)3/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyVBWAHODRQOCPMV-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.89
Rot. Bonds3

About 1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea

1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea (PubChem CID 110443864) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea
PubChem CID110443864
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea
SMILESCc1csc(-c2ccccc2CNC(=O)N(C)C)n1
InChIInChI=1S/C14H17N3OS/c1-10-9-19-13(16-10)12-7-5-4-6-11(12)8-15-14(18)17(2)3/h4-7,9H,8H2,1-3H3,(H,15,18)
InChIKeyVBWAHODRQOCPMV-UHFFFAOYSA-N
XLogP2.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dimethyl-3-[[2-(4-methyl-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

Related Compounds

3-(dimethylamino)-N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 110442520
1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 110443866
N-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 110444632
3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea
CID 110748217
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460
2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 53443450
1,1-dimethyl-3-[(2-methylsulfonylphenyl)methyl]urea
CID 110470450
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzamide
CID 115688049
2-(4-methyl-1,3-thiazol-2-yl)benzenethiol
CID 175175322
2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 54593856
1,1-dimethyl-3-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317337
2-(2-aminophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63238856

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea (CID 110443864) is 1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea is Cc1csc(-c2ccccc2CNC(=O)N(C)C)n1.
What is the InChIKey of 1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea?
The InChIKey is VBWAHODRQOCPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-9-19-13(16-10)12-7-5-4-6-11(12)8-15-14(18)17(2)3/h4-7,9H,8H2,1-3H3,(H,15,18).
What are the key properties of 1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea?
1,1-dimethyl-3-[[2-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea has a molecular weight of 275.38 g/mol, XLogP of 2.89, 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-(4-methyl-1,3-thiazol-2-yl)phenyl]methyl]urea is sourced from PubChem (CID 110443864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).