1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea

C13H16N2O2S — CID 122264543

IUPAC1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
SMILESCC(C)NC(=O)NCc1ccc(-c2cccs2)o1
InChIInChI=1S/C13H16N2O2S/c1-9(2)15-13(16)14-8-10-5-6-11(17-10)12-4-3-7-18-12/h3-7,9H,8H2,1-2H3,(H2,14,15,16)
InChIKeyCCRULFPHRJNKJC-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.22
Rot. Bonds4

About 1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea

1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea (PubChem CID 122264543) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
PubChem CID122264543
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
SMILESCC(C)NC(=O)NCc1ccc(-c2cccs2)o1
InChIInChI=1S/C13H16N2O2S/c1-9(2)15-13(16)14-8-10-5-6-11(17-10)12-4-3-7-18-12/h3-7,9H,8H2,1-2H3,(H2,14,15,16)
InChIKeyCCRULFPHRJNKJC-UHFFFAOYSA-N
XLogP3.22
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-thiophen-2-ylfuran-2-yl)methyl]cyclopentanecarboxamide
CID 122264205
2,2-diphenyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]acetamide
CID 122264322
1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264568
1-[(5-thiophen-2-ylfuran-2-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121019157
1-(2-phenoxyethyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264565
2-chloro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 119101790
N'-cyclopropyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264467
2-iodo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 122264339
N'-(3,5-dimethylphenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264488
N'-(4-fluorophenyl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 122264483
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
methyl 2-amino-3-(5-thiophen-2-ylfuran-2-yl)propanoate
CID 170884292

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea?
The IUPAC name of 1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea (CID 122264543) is 1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea is CC(C)NC(=O)NCc1ccc(-c2cccs2)o1.
What is the InChIKey of 1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea?
The InChIKey is CCRULFPHRJNKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(2)15-13(16)14-8-10-5-6-11(17-10)12-4-3-7-18-12/h3-7,9H,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea?
1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea has a molecular weight of 264.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea is sourced from PubChem (CID 122264543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).