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

C18H24N4O2S2 — CID 3223657

IUPACN-(2-methoxyethyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
SMILESCOCCNC(=S)N1CCN(c2nc(-c3cccc(OC)c3)cs2)CC1
InChIInChI=1S/C18H24N4O2S2/c1-23-11-6-19-17(25)21-7-9-22(10-8-21)18-20-16(13-26-18)14-4-3-5-15(12-14)24-2/h3-5,12-13H,6-11H2,1-2H3,(H,19,25)
InChIKeyFKJZIARNFSJSKD-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.46
Rot. Bonds6

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

N-(2-methoxyethyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide (PubChem CID 3223657) has the molecular formula C18H24N4O2S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
PubChem CID3223657
Molecular FormulaC18H24N4O2S2
Molecular Weight392.55 g/mol
Exact Mass392.13
IUPAC NameN-(2-methoxyethyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide
SMILESCOCCNC(=S)N1CCN(c2nc(-c3cccc(OC)c3)cs2)CC1
InChIInChI=1S/C18H24N4O2S2/c1-23-11-6-19-17(25)21-7-9-22(10-8-21)18-20-16(13-26-18)14-4-3-5-15(12-14)24-2/h3-5,12-13H,6-11H2,1-2H3,(H,19,25)
InChIKeyFKJZIARNFSJSKD-UHFFFAOYSA-N
XLogP2.46
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide?
The IUPAC name of N-(2-methoxyethyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide (CID 3223657) is N-(2-methoxyethyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide is COCCNC(=S)N1CCN(c2nc(-c3cccc(OC)c3)cs2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide?
The InChIKey is FKJZIARNFSJSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S2/c1-23-11-6-19-17(25)21-7-9-22(10-8-21)18-20-16(13-26-18)14-4-3-5-15(12-14)24-2/h3-5,12-13H,6-11H2,1-2H3,(H,19,25).
What are the key properties of N-(2-methoxyethyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide?
N-(2-methoxyethyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide has a molecular weight of 392.55 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carbothioamide is sourced from PubChem (CID 3223657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).