1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea

C15H24N2O2S — CID 22639980

IUPAC1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccccc1CCNC(=S)NC(O)C(C)(C)C
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)13(18)17-14(20)16-10-9-11-7-5-6-8-12(11)19-4/h5-8,13,18H,9-10H2,1-4H3,(H2,16,17,20)
InChIKeyKSYDKMXRACCHQF-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.07
Rot. Bonds5

About 1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea

1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea (PubChem CID 22639980) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
PubChem CID22639980
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
SMILESCOc1ccccc1CCNC(=S)NC(O)C(C)(C)C
InChIInChI=1S/C15H24N2O2S/c1-15(2,3)13(18)17-14(20)16-10-9-11-7-5-6-8-12(11)19-4/h5-8,13,18H,9-10H2,1-4H3,(H2,16,17,20)
InChIKeyKSYDKMXRACCHQF-UHFFFAOYSA-N
XLogP2.07
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 19649703
1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 17298438
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 106260825
1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 8726213
2-bromo-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 106260318
N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 106261293
1-(2-methoxy-3,3-dimethylbutyl)-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111710854
N-[2-(2-methoxyphenyl)ethyl]-N'-(3-methylbutyl)oxamide
CID 44996012
N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108983990
1-(4-ethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 8658273
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea?
The IUPAC name of 1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea (CID 22639980) is 1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea?
The canonical SMILES for 1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea is COc1ccccc1CCNC(=S)NC(O)C(C)(C)C.
What is the InChIKey of 1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea?
The InChIKey is KSYDKMXRACCHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-15(2,3)13(18)17-14(20)16-10-9-11-7-5-6-8-12(11)19-4/h5-8,13,18H,9-10H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea?
1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea has a molecular weight of 296.44 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea is sourced from PubChem (CID 22639980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).