[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

C18H23N3OS3 — CID 19325631

IUPAC[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCSc1nsc(SC)c1C(=O)N1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C18H23N3OS3/c1-13-6-4-5-7-14(13)12-20-8-10-21(11-9-20)17(22)15-16(23-2)19-25-18(15)24-3/h4-7H,8-12H2,1-3H3
InChIKeyPJORFWATRRQLID-UHFFFAOYSA-N
MW393.60 g/mol
LogP3.85
Rot. Bonds5

About [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone

[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19325631) has the molecular formula C18H23N3OS3 and a molecular weight of 393.60 g/mol. Its IUPAC name is [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID19325631
Molecular FormulaC18H23N3OS3
Molecular Weight393.60 g/mol
Exact Mass393.10
IUPAC Name[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCSc1nsc(SC)c1C(=O)N1CCN(Cc2ccccc2C)CC1
InChIInChI=1S/C18H23N3OS3/c1-13-6-4-5-7-14(13)12-20-8-10-21(11-9-20)17(22)15-16(23-2)19-25-18(15)24-3/h4-7H,8-12H2,1-3H3
InChIKeyPJORFWATRRQLID-UHFFFAOYSA-N
XLogP3.85
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.60
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 8642477
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]methanone
CID 17052303
methyl 4-[(2-methylphenyl)methyl]piperazine-1-carbodithioate;hydrochloride
CID 19388508
(4,5-dibromothiophen-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325654
(2,5-dimethylphenyl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 8642232
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 90483007
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 120703329
methyl 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzoate
CID 8642324
(4,5-dibromo-1H-pyrazol-3-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19514929
(4,6-dimethyl-1H-indol-2-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 35788544

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone (CID 19325631) is [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone is CSc1nsc(SC)c1C(=O)N1CCN(Cc2ccccc2C)CC1.
What is the InChIKey of [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is PJORFWATRRQLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS3/c1-13-6-4-5-7-14(13)12-20-8-10-21(11-9-20)17(22)15-16(23-2)19-25-18(15)24-3/h4-7H,8-12H2,1-3H3.
What are the key properties of [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone?
[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 393.60 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19325631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).