1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea

C15H19FN4O2S — CID 84593918

IUPAC1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea
SMILESCOc1cc(F)cc(CNC(=O)NCc2csc(N(C)C)n2)c1
InChIInChI=1S/C15H19FN4O2S/c1-20(2)15-19-12(9-23-15)8-18-14(21)17-7-10-4-11(16)6-13(5-10)22-3/h4-6,9H,7-8H2,1-3H3,(H2,17,18,21)
InChIKeyIIHJUJWHVLFZOV-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.36
Rot. Bonds6

About 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea

1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea (PubChem CID 84593918) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea
PubChem CID84593918
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea
SMILESCOc1cc(F)cc(CNC(=O)NCc2csc(N(C)C)n2)c1
InChIInChI=1S/C15H19FN4O2S/c1-20(2)15-19-12(9-23-15)8-18-14(21)17-7-10-4-11(16)6-13(5-10)22-3/h4-6,9H,7-8H2,1-3H3,(H2,17,18,21)
InChIKeyIIHJUJWHVLFZOV-UHFFFAOYSA-N
XLogP2.36
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea with MolForge

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Related Compounds

1-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(1-methylpyrrol-3-yl)methyl]urea
CID 75439636
[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
1-[(3-fluoro-5-methoxyphenyl)methyl]-3-(3-fluoro-4-pyridinyl)urea
CID 91660536
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea
CID 72889978
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111603963
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111619161
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[1-(2-fluorophenyl)cyclopropyl]methyl]urea
CID 71981655
2-[(3,4-dimethoxyphenyl)methyl]-1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]guanidine;hydroiodide
CID 111600738
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea
CID 97242047
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 87065383

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea?
The IUPAC name of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea (CID 84593918) is 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea is COc1cc(F)cc(CNC(=O)NCc2csc(N(C)C)n2)c1.
What is the InChIKey of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea?
The InChIKey is IIHJUJWHVLFZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-20(2)15-19-12(9-23-15)8-18-14(21)17-7-10-4-11(16)6-13(5-10)22-3/h4-6,9H,7-8H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea?
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea has a molecular weight of 338.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3-fluoro-5-methoxyphenyl)methyl]urea is sourced from PubChem (CID 84593918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).