N-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide

C19H23N3O3S — CID 17372757

IUPACN-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide
SMILESCOc1cc(NC(=S)N2CCN(c3ccc(O)cc3)CC2)cc(OC)c1
InChIInChI=1S/C19H23N3O3S/c1-24-17-11-14(12-18(13-17)25-2)20-19(26)22-9-7-21(8-10-22)15-3-5-16(23)6-4-15/h3-6,11-13,23H,7-10H2,1-2H3,(H,20,26)
InChIKeyWKXZVSIDNCYQNW-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.93
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide

N-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide (PubChem CID 17372757) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide
PubChem CID17372757
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide
SMILESCOc1cc(NC(=S)N2CCN(c3ccc(O)cc3)CC2)cc(OC)c1
InChIInChI=1S/C19H23N3O3S/c1-24-17-11-14(12-18(13-17)25-2)20-19(26)22-9-7-21(8-10-22)15-3-5-16(23)6-4-15/h3-6,11-13,23H,7-10H2,1-2H3,(H,20,26)
InChIKeyWKXZVSIDNCYQNW-UHFFFAOYSA-N
XLogP2.93
TPSA57.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dichlorophenyl)-N-(3,5-dimethoxyphenyl)piperazine-1-carbothioamide
CID 19654680
N,4-bis(3-methoxyphenyl)piperazine-1-carbothioamide
CID 3839532
N-(3,5-dimethoxyphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42998885
N-(5-chloro-2-methoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide
CID 17374202
N-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carbothioamide
CID 19654388
N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 1075987
4-(2-hydroxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide
CID 8627137
(3S)-N-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carbothioamide
CID 2207452
N-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carbothioamide
CID 2955625
N-(2-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide
CID 17372751
N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide
CID 3890089
1-[(3,5-dimethoxyphenyl)carbamothioyl]piperidine-4-carboxamide
CID 800272

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide (CID 17372757) is N-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide is COc1cc(NC(=S)N2CCN(c3ccc(O)cc3)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide?
The InChIKey is WKXZVSIDNCYQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-24-17-11-14(12-18(13-17)25-2)20-19(26)22-9-7-21(8-10-22)15-3-5-16(23)6-4-15/h3-6,11-13,23H,7-10H2,1-2H3,(H,20,26).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide?
N-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide has a molecular weight of 373.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(4-hydroxyphenyl)piperazine-1-carbothioamide is sourced from PubChem (CID 17372757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).