4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole

C21H31N3OS — CID 54061893

IUPAC4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCCCCCOc1ccccc1N1CCN(CCc2scnc2C)CC1
InChIInChI=1S/C21H31N3OS/c1-3-4-7-16-25-20-9-6-5-8-19(20)24-14-12-23(13-15-24)11-10-21-18(2)22-17-26-21/h5-6,8-9,17H,3-4,7,10-16H2,1-2H3
InChIKeyMAHODAAGZVVWNQ-UHFFFAOYSA-N
MW373.57 g/mol
LogP4.39
Rot. Bonds9

About 4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole

4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 54061893) has the molecular formula C21H31N3OS and a molecular weight of 373.57 g/mol. Its IUPAC name is 4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID54061893
Molecular FormulaC21H31N3OS
Molecular Weight373.57 g/mol
Exact Mass373.22
IUPAC Name4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCCCCCOc1ccccc1N1CCN(CCc2scnc2C)CC1
InChIInChI=1S/C21H31N3OS/c1-3-4-7-16-25-20-9-6-5-8-19(20)24-14-12-23(13-15-24)11-10-21-18(2)22-17-26-21/h5-6,8-9,17H,3-4,7,10-16H2,1-2H3
InChIKeyMAHODAAGZVVWNQ-UHFFFAOYSA-N
XLogP4.39
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole;trihydrochloride
CID 67918642
1-(2-butoxyphenyl)pyrrolidine
CID 154391189
1-(2-octoxyphenyl)piperazine
CID 63461603
2-[3-[4-(2-hexoxyphenyl)piperazin-1-yl]propyl]-4,7-dihydroisoindole-1,3-diol
CID 91375367
anisole;4-methyl-5-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 19893371
5-[2-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 75471631
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethoxy]-4-methyl-1,3-thiazole;dihydrochloride
CID 3078068
1-methyl-4-[2-(2-pyrrolidin-1-ylethoxy)phenyl]piperazine
CID 58817389
2-[2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]ethyl]-1,3,4-thiadiazole
CID 58269751
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
(6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 97290365
4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine
CID 51357649

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole (CID 54061893) is 4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole is CCCCCOc1ccccc1N1CCN(CCc2scnc2C)CC1.
What is the InChIKey of 4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is MAHODAAGZVVWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3OS/c1-3-4-7-16-25-20-9-6-5-8-19(20)24-14-12-23(13-15-24)11-10-21-18(2)22-17-26-21/h5-6,8-9,17H,3-4,7,10-16H2,1-2H3.
What are the key properties of 4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole?
4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 373.57 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-[4-(2-pentoxyphenyl)piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 54061893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).