1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea

C11H16F3N3OS — CID 47134291

IUPAC1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C)C(CNC(=O)NCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3N3OS/c1-17(2)8(9-4-3-5-19-9)6-15-10(18)16-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3,(H2,15,16,18)
InChIKeySGZCWQRHIWRJSJ-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.21
Rot. Bonds5

About 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea

1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 47134291) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID47134291
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC Name1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCN(C)C(CNC(=O)NCC(F)(F)F)c1cccs1
InChIInChI=1S/C11H16F3N3OS/c1-17(2)8(9-4-3-5-19-9)6-15-10(18)16-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3,(H2,15,16,18)
InChIKeySGZCWQRHIWRJSJ-UHFFFAOYSA-N
XLogP2.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
1-[2-[(S)-tert-butylsulfinyl]ethyl]-3-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 97072900
1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 97072899
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045
1-[(1-aminocyclohexyl)methyl]-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 146133848
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 18588947
1-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 36870224
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 76897072
2-(tert-butylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 47839911
1-cyclohexyl-3-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 30834300

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea (CID 47134291) is 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea is CN(C)C(CNC(=O)NCC(F)(F)F)c1cccs1.
What is the InChIKey of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is SGZCWQRHIWRJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-17(2)8(9-4-3-5-19-9)6-15-10(18)16-7-11(12,13)14/h3-5,8H,6-7H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 295.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 47134291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).