1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea

C15H19N3OS — CID 71933227

IUPAC1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCc2scnc2C)c(C)c1
InChIInChI=1S/C15H19N3OS/c1-9-5-10(2)14(11(3)6-9)18-15(19)16-7-13-12(4)17-8-20-13/h5-6,8H,7H2,1-4H3,(H2,16,18,19)
InChIKeyUMXDOCVMYTUFNH-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.70
Rot. Bonds3

About 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 71933227) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID71933227
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCc2scnc2C)c(C)c1
InChIInChI=1S/C15H19N3OS/c1-9-5-10(2)14(11(3)6-9)18-15(19)16-7-13-12(4)17-8-20-13/h5-6,8H,7H2,1-4H3,(H2,16,18,19)
InChIKeyUMXDOCVMYTUFNH-UHFFFAOYSA-N
XLogP3.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea (CID 71933227) is 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)NCc2scnc2C)c(C)c1.
What is the InChIKey of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is UMXDOCVMYTUFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-5-10(2)14(11(3)6-9)18-15(19)16-7-13-12(4)17-8-20-13/h5-6,8H,7H2,1-4H3,(H2,16,18,19).
What are the key properties of 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea?
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 289.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 71933227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).