(5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione

C14H20N2OS — CID 16745444

IUPAC(5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione
SMILESCCCCN1C(=S)NC[C@@H]1Cc1ccc(O)cc1
InChIInChI=1S/C14H20N2OS/c1-2-3-8-16-12(10-15-14(16)18)9-11-4-6-13(17)7-5-11/h4-7,12,17H,2-3,8-10H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyPZCCKLPJBCEYPJ-LBPRGKRZSA-N
MW264.39 g/mol
LogP2.29
Rot. Bonds5

About (5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione

(5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione (PubChem CID 16745444) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione.

Molecular Properties

Compound Name(5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione
PubChem CID16745444
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione
SMILESCCCCN1C(=S)NC[C@@H]1Cc1ccc(O)cc1
InChIInChI=1S/C14H20N2OS/c1-2-3-8-16-12(10-15-14(16)18)9-11-4-6-13(17)7-5-11/h4-7,12,17H,2-3,8-10H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeyPZCCKLPJBCEYPJ-LBPRGKRZSA-N
XLogP2.29
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione?
The IUPAC name of (5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione (CID 16745444) is (5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione.
What is the SMILES notation for (5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione?
The canonical SMILES for (5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione is CCCCN1C(=S)NC[C@@H]1Cc1ccc(O)cc1.
What is the InChIKey of (5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione?
The InChIKey is PZCCKLPJBCEYPJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-2-3-8-16-12(10-15-14(16)18)9-11-4-6-13(17)7-5-11/h4-7,12,17H,2-3,8-10H2,1H3,(H,15,18)/t12-/m0/s1.
What are the key properties of (5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione?
(5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione has a molecular weight of 264.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-butyl-5-[(4-hydroxyphenyl)methyl]imidazolidine-2-thione is sourced from PubChem (CID 16745444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).