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

C13H16N2O3S — CID 95983775

IUPAC1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
SMILESC[C@@](O)(CNC(=O)NCc1cccs1)c1ccco1
InChIInChI=1S/C13H16N2O3S/c1-13(17,11-5-2-6-18-11)9-15-12(16)14-8-10-4-3-7-19-10/h2-7,17H,8-9H2,1H3,(H2,14,15,16)/t13-/m1/s1
InChIKeyHQBAPLZJXWIULC-CYBMUJFWSA-N
MW280.35 g/mol
LogP2.05
Rot. Bonds5

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

1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea (PubChem CID 95983775) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
PubChem CID95983775
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
SMILESC[C@@](O)(CNC(=O)NCc1cccs1)c1ccco1
InChIInChI=1S/C13H16N2O3S/c1-13(17,11-5-2-6-18-11)9-15-12(16)14-8-10-4-3-7-19-10/h2-7,17H,8-9H2,1H3,(H2,14,15,16)/t13-/m1/s1
InChIKeyHQBAPLZJXWIULC-CYBMUJFWSA-N
XLogP2.05
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 129417632
1-[(4-fluorophenyl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 121086013
1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 94909098
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111505138
N-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 111482176
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
1-(thiophen-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)urea
CID 90498154
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71782647
1-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)-3-(thiophen-2-ylmethyl)urea
CID 71787409
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea?
The IUPAC name of 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea (CID 95983775) is 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea is C[C@@](O)(CNC(=O)NCc1cccs1)c1ccco1.
What is the InChIKey of 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea?
The InChIKey is HQBAPLZJXWIULC-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-13(17,11-5-2-6-18-11)9-15-12(16)14-8-10-4-3-7-19-10/h2-7,17H,8-9H2,1H3,(H2,14,15,16)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea?
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea has a molecular weight of 280.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 95983775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).