1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea

C9H10ClF3N2OS — CID 47228073

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(NC(=O)NCC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClF3N2OS/c1-5(6-2-3-7(10)17-6)15-8(16)14-4-9(11,12)13/h2-3,5H,4H2,1H3,(H2,14,15,16)
InChIKeyQOMOJVLLBAVXSZ-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.32
Rot. Bonds3

About 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea

1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 47228073) has the molecular formula C9H10ClF3N2OS and a molecular weight of 286.71 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID47228073
Molecular FormulaC9H10ClF3N2OS
Molecular Weight286.71 g/mol
Exact Mass286.02
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
SMILESCC(NC(=O)NCC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C9H10ClF3N2OS/c1-5(6-2-3-7(10)17-6)15-8(16)14-4-9(11,12)13/h2-3,5H,4H2,1H3,(H2,14,15,16)
InChIKeyQOMOJVLLBAVXSZ-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-Chlorothiophen-2-yl)methyl]-3-(cyclopropylmethyl)-1-methylurea
CID 40026778
1-[1-(5-Chlorothiophen-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 45814262
1-Methyl-1-[(5-methylthiophen-2-YL)methyl]-3-(propan-2-YL)urea
CID 53016504
(2S)-2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 36350564
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]butanamide
CID 43705072
N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3,3-trifluoropropanamide
CID 45879040
1-[2-(5-Chlorothiophen-2-yl)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 78889622
4-acetyl-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]piperazine-1-carboxamide
CID 94177606
3-(carbamoylamino)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 95278312
1-(2-Chloroethyl)-3-(2,2,2-trifluoro-1-thiophen-2-ylethyl)urea
CID 54150217
1-Methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea
CID 175286877
2-[2-[1-(5-Chlorothiophen-2-yl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 47030939

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea (CID 47228073) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea is CC(NC(=O)NCC(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is QOMOJVLLBAVXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2OS/c1-5(6-2-3-7(10)17-6)15-8(16)14-4-9(11,12)13/h2-3,5H,4H2,1H3,(H2,14,15,16).
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea?
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 286.71 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 47228073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).