N-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide

C12H14N2O2S — CID 2370247

IUPACN-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide
SMILESCN(C(=S)NC(=O)C1CC1)c1ccc(O)cc1
InChIInChI=1S/C12H14N2O2S/c1-14(9-4-6-10(15)7-5-9)12(17)13-11(16)8-2-3-8/h4-8,15H,2-3H2,1H3,(H,13,16,17)
InChIKeyDBCXXOVOFYXOJC-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.64
Rot. Bonds2

About N-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide

N-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide (PubChem CID 2370247) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide
PubChem CID2370247
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide
SMILESCN(C(=S)NC(=O)C1CC1)c1ccc(O)cc1
InChIInChI=1S/C12H14N2O2S/c1-14(9-4-6-10(15)7-5-9)12(17)13-11(16)8-2-3-8/h4-8,15H,2-3H2,1H3,(H,13,16,17)
InChIKeyDBCXXOVOFYXOJC-UHFFFAOYSA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide (CID 2370247) is N-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide is CN(C(=S)NC(=O)C1CC1)c1ccc(O)cc1.
What is the InChIKey of N-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide?
The InChIKey is DBCXXOVOFYXOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-14(9-4-6-10(15)7-5-9)12(17)13-11(16)8-2-3-8/h4-8,15H,2-3H2,1H3,(H,13,16,17).
What are the key properties of N-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide?
N-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)-methylcarbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 2370247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).