1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea

C9H10F3N3OS — CID 175286877

IUPAC1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea
SMILES[H]/N=C/NC(=O)NC(C)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C9H10F3N3OS/c1-5(15-8(16)14-4-13)6-2-3-7(17-6)9(10,11)12/h2-5H,1H3,(H3,13,14,15,16)
InChIKeyIGMJIJDMNIUNAF-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.73
Rot. Bonds3

About 1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea

1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea (PubChem CID 175286877) has the molecular formula C9H10F3N3OS and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea
PubChem CID175286877
Molecular FormulaC9H10F3N3OS
Molecular Weight265.26 g/mol
Exact Mass265.05
IUPAC Name1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea
SMILES[H]/N=C/NC(=O)NC(C)c1ccc(C(F)(F)F)s1
InChIInChI=1S/C9H10F3N3OS/c1-5(15-8(16)14-4-13)6-2-3-7(17-6)9(10,11)12/h2-5H,1H3,(H3,13,14,15,16)
InChIKeyIGMJIJDMNIUNAF-UHFFFAOYSA-N
XLogP2.73
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-3-(thiophen-2-ylmethyl)urea
CID 649999
4-(2,2-difluoroethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 75437659
1,3-Dimethyl-1-((5-methylthiophen-2-yl)methyl)urea
CID 53016463
3-Ethyl-1-methyl-1-[(thiophen-2-YL)methyl]urea
CID 53016484
3-Ethyl-1-methyl-1-[(5-methylthiophen-2-yl)methyl]urea
CID 53016485
1-Methyl-1-[(5-methylthiophen-2-YL)methyl]-3-(propan-2-YL)urea
CID 53016504
1-Methyl-1-(thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 42954480
3-fluoro-N-[(5-methylthiophen-2-yl)methyl]azetidine-1-carboxamide
CID 126772152
1-Hydroxy-1-[1-[5-(6,6,6-trifluorohexyl)thiophen-2-yl]ethyl]urea
CID 19813500
1-(2-Chloroethyl)-3-(2,2,2-trifluoro-1-thiophen-2-ylethyl)urea
CID 54150217
4-Amino-1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]-1,3,5-triazin-2-one
CID 117848954
1-Carbamothioyl-3-[[5-(trifluoromethyl)thiophen-2-yl]methyl]urea
CID 122429287

Frequently Asked Questions

What is the IUPAC name of 1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea?
The IUPAC name of 1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea (CID 175286877) is 1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea.
What is the SMILES notation for 1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea?
The canonical SMILES for 1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea is [H]/N=C/NC(=O)NC(C)c1ccc(C(F)(F)F)s1.
What is the InChIKey of 1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea?
The InChIKey is IGMJIJDMNIUNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3OS/c1-5(15-8(16)14-4-13)6-2-3-7(17-6)9(10,11)12/h2-5H,1H3,(H3,13,14,15,16).
What are the key properties of 1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea?
1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea has a molecular weight of 265.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanimidoyl-3-[1-[5-(trifluoromethyl)thiophen-2-yl]ethyl]urea is sourced from PubChem (CID 175286877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).