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

C21H21N3OS — CID 110648662

IUPAC(2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccccc3)CC2)c(-c2ccccc2)s1
InChIInChI=1S/C21H21N3OS/c1-16-22-19(20(26-16)17-8-4-2-5-9-17)21(25)24-14-12-23(13-15-24)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3
InChIKeyXICKBCJWKDZSAG-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.08
Rot. Bonds3

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

(2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 110648662) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is (2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID110648662
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC Name(2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ccccc3)CC2)c(-c2ccccc2)s1
InChIInChI=1S/C21H21N3OS/c1-16-22-19(20(26-16)17-8-4-2-5-9-17)21(25)24-14-12-23(13-15-24)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3
InChIKeyXICKBCJWKDZSAG-UHFFFAOYSA-N
XLogP4.08
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9112756
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 110649173
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,3-thiazol-4-yl)methanone
CID 110649513
(2-methylquinazolin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110702833
(5-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110689240
(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[3-(quinoxalin-2-ylamino)pyrrolidin-1-yl]methanone
CID 68971205
2-(4-fluorophenoxy)-1-[4-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 154872856
(4,7-dimethyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 66499434
(2-methylpyrimidin-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 96588033
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 131737123
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
(5-methyl-1H-indazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 78859047

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone (CID 110648662) is (2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1nc(C(=O)N2CCN(c3ccccc3)CC2)c(-c2ccccc2)s1.
What is the InChIKey of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is XICKBCJWKDZSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c1-16-22-19(20(26-16)17-8-4-2-5-9-17)21(25)24-14-12-23(13-15-24)18-10-6-3-7-11-18/h2-11H,12-15H2,1H3.
What are the key properties of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone?
(2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 363.49 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-phenyl-1,3-thiazol-4-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 110648662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).