(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone

C22H23N3OS — CID 39080600

IUPAC(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H23N3OS/c1-17-21(27-20(23-17)16-18-8-4-2-5-9-18)22(26)25-14-12-24(13-15-25)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3
InChIKeyWKVAGXRNKUPWLO-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.00
Rot. Bonds4

About (2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone

(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 39080600) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is (2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID39080600
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H23N3OS/c1-17-21(27-20(23-17)16-18-8-4-2-5-9-18)22(26)25-14-12-24(13-15-25)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3
InChIKeyWKVAGXRNKUPWLO-UHFFFAOYSA-N
XLogP4.00
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 110389428
(4-benzhydrylpiperazin-1-yl)-(2-benzyl-4-methyl-1,3-thiazol-5-yl)methanone
CID 39080626
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559983
(3R)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124695692
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31700706
(2S)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 99639883
(3R,4R)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120980109
2-benzyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46430563
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(2-benzyl-4-methyl-1,3-thiazol-5-yl)methanone
CID 120747160
methyl 2-[4-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 46431466
[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone
CID 56815929
2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone (CID 39080600) is (2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1nc(Cc2ccccc2)sc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is WKVAGXRNKUPWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-17-21(27-20(23-17)16-18-8-4-2-5-9-18)22(26)25-14-12-24(13-15-25)19-10-6-3-7-11-19/h2-11H,12-16H2,1H3.
What are the key properties of (2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone?
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 377.51 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 39080600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).