1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

C11H16N4O2S — CID 71861653

IUPAC1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCOCCN(CCC#N)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H16N4O2S/c1-9-8-18-10(13-9)14-11(16)15(5-3-4-12)6-7-17-2/h8H,3,5-7H2,1-2H3,(H,13,14,16)
InChIKeyLPFXUADAVVIORW-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.85
Rot. Bonds6

About 1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea

1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 71861653) has the molecular formula C11H16N4O2S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID71861653
Molecular FormulaC11H16N4O2S
Molecular Weight268.34 g/mol
Exact Mass268.10
IUPAC Name1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCOCCN(CCC#N)C(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H16N4O2S/c1-9-8-18-10(13-9)14-11(16)15(5-3-4-12)6-7-17-2/h8H,3,5-7H2,1-2H3,(H,13,14,16)
InChIKeyLPFXUADAVVIORW-UHFFFAOYSA-N
XLogP1.85
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43037447
2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl-propylamino]acetic acid
CID 61196097
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55172677
3-tert-butyl-1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 55220407
2-[4-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 63286943
2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 42769830
(2S)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 63286518
(2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756766
N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 63237259
1-(2-cyanoethyl)-1-(2-methoxyethyl)urea
CID 63285915
3-chloro-N-[2-cyanoethyl(2-methoxyethyl)carbamoyl]propanamide
CID 63286811
N-(2-cyanoethyl)-N-(2-methoxyethyl)-2,4,6-trimethylbenzamide
CID 63286185

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 71861653) is 1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is COCCN(CCC#N)C(=O)Nc1nc(C)cs1.
What is the InChIKey of 1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is LPFXUADAVVIORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S/c1-9-8-18-10(13-9)14-11(16)15(5-3-4-12)6-7-17-2/h8H,3,5-7H2,1-2H3,(H,13,14,16).
What are the key properties of 1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 268.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-1-(2-methoxyethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 71861653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).