N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide

C22H24N4O2S2 — CID 3223665

IUPACN-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
SMILESCOc1ccc(NC(=S)N2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1
InChIInChI=1S/C22H24N4O2S2/c1-27-18-8-6-17(7-9-18)23-21(29)25-10-12-26(13-11-25)22-24-20(15-30-22)16-4-3-5-19(14-16)28-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,29)
InChIKeyFXVYRCDCCSKRLN-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.35
Rot. Bonds5

About N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide

N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide (PubChem CID 3223665) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
PubChem CID3223665
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC NameN-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
SMILESCOc1ccc(NC(=S)N2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1
InChIInChI=1S/C22H24N4O2S2/c1-27-18-8-6-17(7-9-18)23-21(29)25-10-12-26(13-11-25)22-24-20(15-30-22)16-4-3-5-19(14-16)28-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,29)
InChIKeyFXVYRCDCCSKRLN-UHFFFAOYSA-N
XLogP4.35
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 3223742
4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-propylpiperazine-1-carbothioamide
CID 3223675
N-cyclohexyl-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
CID 1447665
N-(3-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1447625
N-(4-ethoxyphenyl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carbothioamide
CID 1447422
N-(4-bromophenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]acetamide
CID 6986150
ethyl 4-[[2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetyl]amino]benzoate
CID 3223649
N-(4-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide
CID 8017270
N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide
CID 3890089
N,4-bis(3-methoxyphenyl)piperazine-1-carbothioamide
CID 3839532
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-phenyl-1,3-thiazole
CID 1477904
N-(2,5-dichlorophenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 1447590

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide (CID 3223665) is N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide is COc1ccc(NC(=S)N2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide?
The InChIKey is FXVYRCDCCSKRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-27-18-8-6-17(7-9-18)23-21(29)25-10-12-26(13-11-25)22-24-20(15-30-22)16-4-3-5-19(14-16)28-2/h3-9,14-15H,10-13H2,1-2H3,(H,23,29).
What are the key properties of N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide?
N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide has a molecular weight of 440.59 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide is sourced from PubChem (CID 3223665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).