[N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea

C11H15N3OS — CID 13209251

IUPAC[N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea
SMILESCC(C)/N=C(/C=C/c1cccs1)NC(N)=O
InChIInChI=1S/C11H15N3OS/c1-8(2)13-10(14-11(12)15)6-5-9-4-3-7-16-9/h3-8H,1-2H3,(H3,12,13,14,15)/b6-5+
InChIKeyXJZHBBMQTDMUFG-AATRIKPKSA-N
MW237.33 g/mol
LogP2.24
Rot. Bonds3

About [N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea

[N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea (PubChem CID 13209251) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is [N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea.

Molecular Properties

Compound Name[N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea
PubChem CID13209251
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name[N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea
SMILESCC(C)/N=C(/C=C/c1cccs1)NC(N)=O
InChIInChI=1S/C11H15N3OS/c1-8(2)13-10(14-11(12)15)6-5-9-4-3-7-16-9/h3-8H,1-2H3,(H3,12,13,14,15)/b6-5+
InChIKeyXJZHBBMQTDMUFG-AATRIKPKSA-N
XLogP2.24
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of [N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea?
The IUPAC name of [N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea (CID 13209251) is [N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea.
What is the SMILES notation for [N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea?
The canonical SMILES for [N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea is CC(C)/N=C(/C=C/c1cccs1)NC(N)=O.
What is the InChIKey of [N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea?
The InChIKey is XJZHBBMQTDMUFG-AATRIKPKSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-8(2)13-10(14-11(12)15)6-5-9-4-3-7-16-9/h3-8H,1-2H3,(H3,12,13,14,15)/b6-5+.
What are the key properties of [N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea?
[N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea has a molecular weight of 237.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [N-propan-2-yl-C-[(E)-2-thiophen-2-ylethenyl]carbonimidoyl]urea is sourced from PubChem (CID 13209251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).