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

C13H16N2O3S — CID 99872776

IUPAC1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea
SMILESC[C@](O)(CNC(=O)Nc1cccs1)Cc1ccco1
InChIInChI=1S/C13H16N2O3S/c1-13(17,8-10-4-2-6-18-10)9-14-12(16)15-11-5-3-7-19-11/h2-7,17H,8-9H2,1H3,(H2,14,15,16)/t13-/m1/s1
InChIKeyFMKHYMBZHDMADS-CYBMUJFWSA-N
MW280.35 g/mol
LogP2.46
Rot. Bonds5

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

1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea (PubChem CID 99872776) has the molecular formula C13H16N2O3S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea
PubChem CID99872776
Molecular FormulaC13H16N2O3S
Molecular Weight280.35 g/mol
Exact Mass280.09
IUPAC Name1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea
SMILESC[C@](O)(CNC(=O)Nc1cccs1)Cc1ccco1
InChIInChI=1S/C13H16N2O3S/c1-13(17,8-10-4-2-6-18-10)9-14-12(16)15-11-5-3-7-19-11/h2-7,17H,8-9H2,1H3,(H2,14,15,16)/t13-/m1/s1
InChIKeyFMKHYMBZHDMADS-CYBMUJFWSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 99872633
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605256
1-(2,2-difluoro-3,3-dimethylbutyl)-3-thiophen-2-ylurea
CID 58044673
1-[(4-fluorophenyl)methyl]-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605292
1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605304
1-(5-chloro-2-methoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605306
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3,5-dimethylbenzamide
CID 90604979
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide
CID 90605187
phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate
CID 90604967
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2,2-diphenylacetamide
CID 90605067
N'-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605203
1-[(2R)-2-(1-benzofuran-2-yl)-2-hydroxypropyl]-3-thiophen-2-ylurea
CID 129416771

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea (CID 99872776) is 1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea is C[C@](O)(CNC(=O)Nc1cccs1)Cc1ccco1.
What is the InChIKey of 1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea?
The InChIKey is FMKHYMBZHDMADS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16N2O3S/c1-13(17,8-10-4-2-6-18-10)9-14-12(16)15-11-5-3-7-19-11/h2-7,17H,8-9H2,1H3,(H2,14,15,16)/t13-/m1/s1.
What are the key properties of 1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea?
1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea has a molecular weight of 280.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 99872776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).