[1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea

C11H17N3OS — CID 6611564

IUPAC[1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea
SMILESCC(=NNC(N)=O)c1ccc(CC(C)C)s1
InChIInChI=1S/C11H17N3OS/c1-7(2)6-9-4-5-10(16-9)8(3)13-14-11(12)15/h4-5,7H,6H2,1-3H3,(H3,12,14,15)
InChIKeySLDASSOIZZGLTA-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.34
Rot. Bonds4

About [1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea

[1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea (PubChem CID 6611564) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is [1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea.

Molecular Properties

Compound Name[1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea
PubChem CID6611564
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name[1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea
SMILESCC(=NNC(N)=O)c1ccc(CC(C)C)s1
InChIInChI=1S/C11H17N3OS/c1-7(2)6-9-4-5-10(16-9)8(3)13-14-11(12)15/h4-5,7H,6H2,1-3H3,(H3,12,14,15)
InChIKeySLDASSOIZZGLTA-UHFFFAOYSA-N
XLogP2.34
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea?
The IUPAC name of [1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea (CID 6611564) is [1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea.
What is the SMILES notation for [1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea?
The canonical SMILES for [1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea is CC(=NNC(N)=O)c1ccc(CC(C)C)s1.
What is the InChIKey of [1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea?
The InChIKey is SLDASSOIZZGLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-7(2)6-9-4-5-10(16-9)8(3)13-14-11(12)15/h4-5,7H,6H2,1-3H3,(H3,12,14,15).
What are the key properties of [1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea?
[1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea has a molecular weight of 239.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-methylpropyl)thiophen-2-yl]ethylideneamino]urea is sourced from PubChem (CID 6611564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).