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

C11H12N2O3S — CID 95986779

IUPAC1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
SMILESO=C(NC[C@H](O)c1ccoc1)Nc1cccs1
InChIInChI=1S/C11H12N2O3S/c14-9(8-3-4-16-7-8)6-12-11(15)13-10-2-1-5-17-10/h1-5,7,9,14H,6H2,(H2,12,13,15)/t9-/m0/s1
InChIKeyZKFWUUCZHFECDM-VIFPVBQESA-N
MW252.30 g/mol
LogP2.20
Rot. Bonds4

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

1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea (PubChem CID 95986779) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
PubChem CID95986779
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
SMILESO=C(NC[C@H](O)c1ccoc1)Nc1cccs1
InChIInChI=1S/C11H12N2O3S/c14-9(8-3-4-16-7-8)6-12-11(15)13-10-2-1-5-17-10/h1-5,7,9,14H,6H2,(H2,12,13,15)/t9-/m0/s1
InChIKeyZKFWUUCZHFECDM-VIFPVBQESA-N
XLogP2.20
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 97106399
1-[3-(furan-3-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804496
1-(2-hydroxy-2-phenylethyl)-3-thiophen-2-ylurea
CID 2812623
1-[(2S)-2-hydroxy-2-phenylethyl]-3-thiophen-2-ylurea
CID 6930537
N'-[2-(furan-3-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 71798386
1-(2-hydroxypropyl)-3-thiophen-2-ylurea
CID 117235204
1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea
CID 124605589
1-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 95986802
1-benzhydryl-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798424
1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea
CID 95367303
N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 95986644
1-(3,5-dimethoxyphenyl)-3-[2-(furan-3-yl)-2-hydroxyethyl]urea
CID 71798422

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea (CID 95986779) is 1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea is O=C(NC[C@H](O)c1ccoc1)Nc1cccs1.
What is the InChIKey of 1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea?
The InChIKey is ZKFWUUCZHFECDM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N2O3S/c14-9(8-3-4-16-7-8)6-12-11(15)13-10-2-1-5-17-10/h1-5,7,9,14H,6H2,(H2,12,13,15)/t9-/m0/s1.
What are the key properties of 1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea?
1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea has a molecular weight of 252.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 95986779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).