(4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone

C23H25N3OS2 — CID 42922853

IUPAC(4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone
SMILESCc1csc(SCc2ccc(C(=O)N3CCN(C)CC3c3ccccc3)cc2)n1
InChIInChI=1S/C23H25N3OS2/c1-17-15-28-23(24-17)29-16-18-8-10-20(11-9-18)22(27)26-13-12-25(2)14-21(26)19-6-4-3-5-7-19/h3-11,15,21H,12-14,16H2,1-2H3
InChIKeyJWFPLTBPJUHTQQ-UHFFFAOYSA-N
MW423.61 g/mol
LogP4.87
Rot. Bonds5

About (4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone

(4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone (PubChem CID 42922853) has the molecular formula C23H25N3OS2 and a molecular weight of 423.61 g/mol. Its IUPAC name is (4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone.

Molecular Properties

Compound Name(4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone
PubChem CID42922853
Molecular FormulaC23H25N3OS2
Molecular Weight423.61 g/mol
Exact Mass423.14
IUPAC Name(4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone
SMILESCc1csc(SCc2ccc(C(=O)N3CCN(C)CC3c3ccccc3)cc2)n1
InChIInChI=1S/C23H25N3OS2/c1-17-15-28-23(24-17)29-16-18-8-10-20(11-9-18)22(27)26-13-12-25(2)14-21(26)19-6-4-3-5-7-19/h3-11,15,21H,12-14,16H2,1-2H3
InChIKeyJWFPLTBPJUHTQQ-UHFFFAOYSA-N
XLogP4.87
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.61
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone with MolForge

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(3-anilinopyrrolidin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone
CID 56503943
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
[4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]methylurea
CID 37333541
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
1-(2-hydroxyethyl)-5-(4-methyl-2-phenylpiperazine-1-carbonyl)pyridin-2-one
CID 155962442
methyl 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate
CID 78779871
(4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72938463
ethyl 1-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]piperidine-4-carboxylate
CID 27554830
(5-methyl-1,3-oxazol-4-yl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 129381205
(6-methoxy-3-pyridinyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333871
(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 25489891

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone?
The IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone (CID 42922853) is (4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone.
What is the SMILES notation for (4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone?
The canonical SMILES for (4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone is Cc1csc(SCc2ccc(C(=O)N3CCN(C)CC3c3ccccc3)cc2)n1.
What is the InChIKey of (4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone?
The InChIKey is JWFPLTBPJUHTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS2/c1-17-15-28-23(24-17)29-16-18-8-10-20(11-9-18)22(27)26-13-12-25(2)14-21(26)19-6-4-3-5-7-19/h3-11,15,21H,12-14,16H2,1-2H3.
What are the key properties of (4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone?
(4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone has a molecular weight of 423.61 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone is sourced from PubChem (CID 42922853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).