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

C11H20N4O2S — CID 111619168

IUPAC3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCc1csc(N(C)C)n1
InChIInChI=1S/C11H20N4O2S/c1-4-15(5-6-16)10(17)12-7-9-8-18-11(13-9)14(2)3/h8,16H,4-7H2,1-3H3,(H,12,17)
InChIKeyLJYJMUWMAYCEII-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.73
Rot. Bonds6

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

3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea (PubChem CID 111619168) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
PubChem CID111619168
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
SMILESCCN(CCO)C(=O)NCc1csc(N(C)C)n1
InChIInChI=1S/C11H20N4O2S/c1-4-15(5-6-16)10(17)12-7-9-8-18-11(13-9)14(2)3/h8,16H,4-7H2,1-3H3,(H,12,17)
InChIKeyLJYJMUWMAYCEII-UHFFFAOYSA-N
XLogP0.73
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
1-ethyl-1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 110895646
1-ethyl-3-[(2-ethylphenyl)methyl]-1-(2-hydroxyethyl)urea
CID 111455825
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111619161
3-[[3-(dimethylamino)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110911020
1-(2-hydroxyethyl)-1-propyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 110910909
2-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]ethanol
CID 62960831
2-[[[2-hydroxyethyl(propyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381131
1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea
CID 108897193
3-[(4-tert-butylphenyl)methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 110910290
N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 115726282
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111603963

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The IUPAC name of 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea (CID 111619168) is 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The canonical SMILES for 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea is CCN(CCO)C(=O)NCc1csc(N(C)C)n1.
What is the InChIKey of 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
The InChIKey is LJYJMUWMAYCEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-4-15(5-6-16)10(17)12-7-9-8-18-11(13-9)14(2)3/h8,16H,4-7H2,1-3H3,(H,12,17).
What are the key properties of 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea?
3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea has a molecular weight of 272.37 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111619168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).