1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea

C12H14N2O3S — CID 97106399

IUPAC1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
SMILESO=C(NCC[C@@H](O)c1ccoc1)Nc1cccs1
InChIInChI=1S/C12H14N2O3S/c15-10(9-4-6-17-8-9)3-5-13-12(16)14-11-2-1-7-18-11/h1-2,4,6-8,10,15H,3,5H2,(H2,13,14,16)/t10-/m1/s1
InChIKeyVRIWMSAGGVOOSD-SNVBAGLBSA-N
MW266.32 g/mol
LogP2.59
Rot. Bonds5

About 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea

1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea (PubChem CID 97106399) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
PubChem CID97106399
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
SMILESO=C(NCC[C@@H](O)c1ccoc1)Nc1cccs1
InChIInChI=1S/C12H14N2O3S/c15-10(9-4-6-17-8-9)3-5-13-12(16)14-11-2-1-7-18-11/h1-2,4,6-8,10,15H,3,5H2,(H2,13,14,16)/t10-/m1/s1
InChIKeyVRIWMSAGGVOOSD-SNVBAGLBSA-N
XLogP2.59
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804496
1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
CID 95986779
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 97106355
1-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804381
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-(2-methylphenyl)urea
CID 97106401
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 97106421
1-benzhydryl-3-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]urea
CID 97106424
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804285
1-[3-(furan-3-yl)-3-hydroxypropyl]-3-(4-methoxyphenyl)urea
CID 121132989
1-(2-ethoxyphenyl)-3-[3-(furan-3-yl)-3-hydroxypropyl]urea
CID 121132993
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351
1-(2-hydroxy-2-phenylethyl)-3-thiophen-2-ylurea
CID 2812623

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea (CID 97106399) is 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea is O=C(NCC[C@@H](O)c1ccoc1)Nc1cccs1.
What is the InChIKey of 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea?
The InChIKey is VRIWMSAGGVOOSD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N2O3S/c15-10(9-4-6-17-8-9)3-5-13-12(16)14-11-2-1-7-18-11/h1-2,4,6-8,10,15H,3,5H2,(H2,13,14,16)/t10-/m1/s1.
What are the key properties of 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea?
1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea has a molecular weight of 266.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 97106399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).