1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea

C16H21N3OS — CID 71923156

IUPAC1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea
SMILESCCN(C)C(=O)NCc1csc(CCc2ccccc2)n1
InChIInChI=1S/C16H21N3OS/c1-3-19(2)16(20)17-11-14-12-21-15(18-14)10-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,17,20)
InChIKeyMRTNETGYWRGLEM-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.09
Rot. Bonds6

About 1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea

1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea (PubChem CID 71923156) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea
PubChem CID71923156
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea
SMILESCCN(C)C(=O)NCc1csc(CCc2ccccc2)n1
InChIInChI=1S/C16H21N3OS/c1-3-19(2)16(20)17-11-14-12-21-15(18-14)10-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,17,20)
InChIKeyMRTNETGYWRGLEM-UHFFFAOYSA-N
XLogP3.09
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methylcarbamoylamino]butanoic acid
CID 122005645
3-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-methyl-1-(4-phenylbutyl)urea
CID 86880064
(2S)-4-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-2-carboxamide
CID 96784696
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine
CID 65488457
N-[(2-methoxyphenyl)methyl]-2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389773
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine
CID 109455970
2-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 110389752
3-methyl-N-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]morpholine-4-carboxamide
CID 71859638
3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]guanidine
CID 109421106
1-benzyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111546102
N-[2-(4-benzyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 75520278
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-methylbenzamide
CID 108737632

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea?
The IUPAC name of 1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea (CID 71923156) is 1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea?
The canonical SMILES for 1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea is CCN(C)C(=O)NCc1csc(CCc2ccccc2)n1.
What is the InChIKey of 1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea?
The InChIKey is MRTNETGYWRGLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-19(2)16(20)17-11-14-12-21-15(18-14)10-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,17,20).
What are the key properties of 1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea?
1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea has a molecular weight of 303.43 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]urea is sourced from PubChem (CID 71923156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).