(4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

C19H19N3OS2 — CID 51266752

IUPAC(4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2csc(-c3ccsc3)n2)C(c2ccccc2)C1
InChIInChI=1S/C19H19N3OS2/c1-21-8-9-22(17(11-21)14-5-3-2-4-6-14)19(23)16-13-25-18(20-16)15-7-10-24-12-15/h2-7,10,12-13,17H,8-9,11H2,1H3
InChIKeyGGUBHJJQDWDPFN-UHFFFAOYSA-N
MW369.52 g/mol
LogP4.00
Rot. Bonds3

About (4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone

(4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (PubChem CID 51266752) has the molecular formula C19H19N3OS2 and a molecular weight of 369.52 g/mol. Its IUPAC name is (4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
PubChem CID51266752
Molecular FormulaC19H19N3OS2
Molecular Weight369.52 g/mol
Exact Mass369.10
IUPAC Name(4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
SMILESCN1CCN(C(=O)c2csc(-c3ccsc3)n2)C(c2ccccc2)C1
InChIInChI=1S/C19H19N3OS2/c1-21-8-9-22(17(11-21)14-5-3-2-4-6-14)19(23)16-13-25-18(20-16)15-7-10-24-12-15/h2-7,10,12-13,17H,8-9,11H2,1H3
InChIKeyGGUBHJJQDWDPFN-UHFFFAOYSA-N
XLogP4.00
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone with MolForge

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72938463
(4-methyl-2-phenylpiperazin-1-yl)-pyrazin-2-ylmethanone
CID 51251944
(3,5-dimethylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 46549349
(5-cyclopropyl-1,2-oxazol-3-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 34229533
(4-amino-2-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 122149093
(3,4-dihydroxypyrrolidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 106671715
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(3-methylpiperidin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 46549382
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-(2-phenylpyrrolidin-1-yl)methanone
CID 24658232
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 60551187
(4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 51266707

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone (CID 51266752) is (4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is CN1CCN(C(=O)c2csc(-c3ccsc3)n2)C(c2ccccc2)C1.
What is the InChIKey of (4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is GGUBHJJQDWDPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS2/c1-21-8-9-22(17(11-21)14-5-3-2-4-6-14)19(23)16-13-25-18(20-16)15-7-10-24-12-15/h2-7,10,12-13,17H,8-9,11H2,1H3.
What are the key properties of (4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone?
(4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 369.52 g/mol, XLogP of 4.00, 3 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)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 51266752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).