(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

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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).