2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one

C24H26N2OS — CID 143696136

IUPAC2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one
SMILESCc1ccc(CC(Cc2cnc(N3CCCC3)s2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H26N2OS/c1-18-9-11-19(12-10-18)15-21(23(27)20-7-3-2-4-8-20)16-22-17-25-24(28-22)26-13-5-6-14-26/h2-4,7-12,17,21H,5-6,13-16H2,1H3
InChIKeyFJGPBBLCZPVTCL-UHFFFAOYSA-N
MW390.55 g/mol
LogP5.34
Rot. Bonds7

About 2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one

2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one (PubChem CID 143696136) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one
PubChem CID143696136
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC Name2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one
SMILESCc1ccc(CC(Cc2cnc(N3CCCC3)s2)C(=O)c2ccccc2)cc1
InChIInChI=1S/C24H26N2OS/c1-18-9-11-19(12-10-18)15-21(23(27)20-7-3-2-4-8-20)16-22-17-25-24(28-22)26-13-5-6-14-26/h2-4,7-12,17,21H,5-6,13-16H2,1H3
InChIKeyFJGPBBLCZPVTCL-UHFFFAOYSA-N
XLogP5.34
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.55
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Methylamino)-1,3-thiazol-5-yl](phenyl)methanone
CID 1485902
4-[[ethyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide
CID 45102714
N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propylamino]methyl]benzamide
CID 45102715
N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-propan-2-ylamino]methyl]benzamide
CID 45487896
N-hydroxy-4-[[[5-(4-methylphenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]methyl]benzamide
CID 45487906
N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 73669508
2-Imino-3-[5-(4-methylbenzyl)-1,3-thiazol-2-yl]-5-phenyl-1,3-thiazolidin-4-one
CID 4883642
2-Imino-3-[5-(3-methylbenzyl)-1,3-thiazol-2-yl]-5-phenyl-1,3-thiazolidin-4-one
CID 15945022
[1,1'-Biphenyl]-4-yl[2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 1485900
1-[4-[(2-Amino-5-thiazolyl)methyl]phenyl]ethanone
CID 2145539
N-(5-Isopropyl-thiazol-2-yl)-2-oxo-2-phenyl-acetamide
CID 22170582
4-[[benzyl-[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]-N-hydroxybenzamide
CID 45487887

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one (CID 143696136) is 2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one is Cc1ccc(CC(Cc2cnc(N3CCCC3)s2)C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is FJGPBBLCZPVTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2OS/c1-18-9-11-19(12-10-18)15-21(23(27)20-7-3-2-4-8-20)16-22-17-25-24(28-22)26-13-5-6-14-26/h2-4,7-12,17,21H,5-6,13-16H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one?
2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 390.55 g/mol, XLogP of 5.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-1-phenyl-3-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 143696136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).