1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea

C15H14N2O3S2 — CID 121133668

IUPAC1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea
SMILESO=C(NCc1ccc(C(O)c2ccco2)s1)Nc1cccs1
InChIInChI=1S/C15H14N2O3S2/c18-14(11-3-1-7-20-11)12-6-5-10(22-12)9-16-15(19)17-13-4-2-8-21-13/h1-8,14,18H,9H2,(H2,16,17,19)
InChIKeyRPTZKMQAUYFUIH-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.81
Rot. Bonds5

About 1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea

1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea (PubChem CID 121133668) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea
PubChem CID121133668
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC Name1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea
SMILESO=C(NCc1ccc(C(O)c2ccco2)s1)Nc1cccs1
InChIInChI=1S/C15H14N2O3S2/c18-14(11-3-1-7-20-11)12-6-5-10(22-12)9-16-15(19)17-13-4-2-8-21-13/h1-8,14,18H,9H2,(H2,16,17,19)
InChIKeyRPTZKMQAUYFUIH-UHFFFAOYSA-N
XLogP3.81
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea with MolForge

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Related Compounds

1-benzyl-3-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873436
1-(2-chlorophenyl)-3-[[5-[(S)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 99873441
1-(3,4-dichlorophenyl)-3-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]urea
CID 121133696
4-tert-butyl-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 99873348
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(4-methylphenyl)oxamide
CID 121133600
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-(2-methylphenyl)oxamide
CID 121133602
1-(2-fluorophenyl)-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583778
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 121133649
1-benzyl-3-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]urea
CID 90583773
2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 121133443
2-(1,3-dioxoisoindol-2-yl)-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]acetamide
CID 121133461
N'-(2-cyanophenyl)-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]oxamide
CID 99873406

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea (CID 121133668) is 1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea is O=C(NCc1ccc(C(O)c2ccco2)s1)Nc1cccs1.
What is the InChIKey of 1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea?
The InChIKey is RPTZKMQAUYFUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c18-14(11-3-1-7-20-11)12-6-5-10(22-12)9-16-15(19)17-13-4-2-8-21-13/h1-8,14,18H,9H2,(H2,16,17,19).
What are the key properties of 1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea?
1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea has a molecular weight of 334.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 121133668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).