1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

C18H29N3O2S — CID 1077071

IUPAC1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
SMILESCOc1cc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc(OC)c1
InChIInChI=1S/C18H29N3O2S/c1-17(2)10-13(11-18(3,4)21-17)20-16(24)19-12-7-14(22-5)9-15(8-12)23-6/h7-9,13,21H,10-11H2,1-6H3,(H2,19,20,24)
InChIKeyQMOZLXZWZKHPOG-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.30
Rot. Bonds4

About 1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea

1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea (PubChem CID 1077071) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
PubChem CID1077071
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC Name1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea
SMILESCOc1cc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc(OC)c1
InChIInChI=1S/C18H29N3O2S/c1-17(2)10-13(11-18(3,4)21-17)20-16(24)19-12-7-14(22-5)9-15(8-12)23-6/h7-9,13,21H,10-11H2,1-6H3,(H2,19,20,24)
InChIKeyQMOZLXZWZKHPOG-UHFFFAOYSA-N
XLogP3.30
TPSA54.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-Dimethoxyphenyl)piperazine
CID 2736205
1-Benzyl-3-(3-methoxyphenyl)thiourea
CID 698354
N-(3,5-dimethoxyphenyl)-4-[hydroxy(diphenyl)methyl]-1-piperidinecarbothioamide
CID 2945630
N-(3,5-dimethoxyphenyl)-1-propylpiperidin-4-amine
CID 742837
N-(3,5-dimethoxyphenyl)-4-methylpiperazine-1-carbothioamide
CID 800590
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carbothioamide
CID 800748
1-(3-Methoxyphenyl)-3-(9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-yl)thiourea
CID 3218070
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carbothioamide
CID 19653640
5-Cyclohexyl-1-(3-methoxyphenyl)-1,3,5-triazinane-2-thione
CID 944146
1-(3,5-Dimethoxyphenyl)-3-[2-(morpholin-4-yl)ethyl]thiourea
CID 799737
N-(3,5-dimethoxyphenyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide
CID 893013
N-(3,5-dimethoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbothioamide
CID 1213420

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea (CID 1077071) is 1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea is COc1cc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
The InChIKey is QMOZLXZWZKHPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-17(2)10-13(11-18(3,4)21-17)20-16(24)19-12-7-14(22-5)9-15(8-12)23-6/h7-9,13,21H,10-11H2,1-6H3,(H2,19,20,24).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea?
1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea has a molecular weight of 351.52 g/mol, XLogP of 3.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-(2,2,6,6-tetramethylpiperidin-4-yl)thiourea is sourced from PubChem (CID 1077071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).