1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea

C15H16N2O2S — CID 18646416

IUPAC1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea
SMILESNC(=O)N(O)C[C@@H]1C[C@H]1c1ccc(-c2ccccc2)s1
InChIInChI=1S/C15H16N2O2S/c16-15(18)17(19)9-11-8-12(11)14-7-6-13(20-14)10-4-2-1-3-5-10/h1-7,11-12,19H,8-9H2,(H2,16,18)/t11-,12+/m0/s1
InChIKeyDKXBOSXCRFDRPC-NWDGAFQWSA-N
MW288.37 g/mol
LogP3.29
Rot. Bonds4

About 1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea

1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea (PubChem CID 18646416) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea
PubChem CID18646416
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea
SMILESNC(=O)N(O)C[C@@H]1C[C@H]1c1ccc(-c2ccccc2)s1
InChIInChI=1S/C15H16N2O2S/c16-15(18)17(19)9-11-8-12(11)14-7-6-13(20-14)10-4-2-1-3-5-10/h1-7,11-12,19H,8-9H2,(H2,16,18)/t11-,12+/m0/s1
InChIKeyDKXBOSXCRFDRPC-NWDGAFQWSA-N
XLogP3.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Atreleuton
CID 3086671
Cox/5-LO-IN-1
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N-{3-[5-(4-fluorobenzyl)thien-2-yl]prop-2-ynyl}-N-hydroxyurea
CID 10542532
N-[1-(5-benzylthien-2-yl)ethyl]-N-hydroxyurea
CID 10660093
N-hydroxy-N-[1-(5-phenylthien-2-yl)ethyl]urea
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N-hydroxy-N-(1-{5-[(E)-2-phenylvinyl]thien-2-yl}ethyl)urea
CID 44301906
N-[3-(1-benzothien-2-yl)cyclobutyl]-N-hydroxyurea
CID 23176602
1-(1-Benzothiophen-2-ylmethyl)-1-hydroxyurea
CID 9920887
1-Hydroxy-1-[1-[5-(2-phenylethenyl)thiophen-2-yl]ethyl]urea
CID 23732148
1-[(2S)-4-(5-benzylthiophen-2-yl)but-3-yn-2-yl]-1-hydroxyurea
CID 154699712
1-(2-Phenylethyl)-3-(2-thiophen-2-ylethyl)urea
CID 5189501

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea?
The IUPAC name of 1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea (CID 18646416) is 1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea is NC(=O)N(O)C[C@@H]1C[C@H]1c1ccc(-c2ccccc2)s1.
What is the InChIKey of 1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea?
The InChIKey is DKXBOSXCRFDRPC-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H16N2O2S/c16-15(18)17(19)9-11-8-12(11)14-7-6-13(20-14)10-4-2-1-3-5-10/h1-7,11-12,19H,8-9H2,(H2,16,18)/t11-,12+/m0/s1.
What are the key properties of 1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea?
1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea has a molecular weight of 288.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[[(1R,2R)-2-(5-phenylthiophen-2-yl)cyclopropyl]methyl]urea is sourced from PubChem (CID 18646416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).