(4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone

C22H23N3OS — CID 9071369

IUPAC(4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C22H23N3OS/c1-17-23-20(19-10-6-3-7-11-19)21(27-17)22(26)25-14-12-24(13-15-25)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3
InChIKeyAJBXRSJEHFNBOO-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.08
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone

(4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone (PubChem CID 9071369) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
PubChem CID9071369
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name(4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C22H23N3OS/c1-17-23-20(19-10-6-3-7-11-19)21(27-17)22(26)25-14-12-24(13-15-25)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3
InChIKeyAJBXRSJEHFNBOO-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzyl-1,4-diazepan-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 30545018
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 24638936
N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 24503747
(4-benzylpiperazin-1-yl)-(4-phenylthiadiazol-5-yl)methanone
CID 100745674
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 46655050
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119516712
3-fluoro-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 120688243
(3R)-1-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 99821823
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 39996426
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 112800819
(4-benzylpiperazin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 110695185

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone (CID 9071369) is (4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ccccc2)c(C(=O)N2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone?
The InChIKey is AJBXRSJEHFNBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-17-23-20(19-10-6-3-7-11-19)21(27-17)22(26)25-14-12-24(13-15-25)16-18-8-4-2-5-9-18/h2-11H,12-16H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone?
(4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone has a molecular weight of 377.51 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 9071369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).