2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C23H30N6OS — CID 134049519

IUPAC2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H30N6OS/c1-16-21(17(2)27(4)26-16)25-22(30)18(3)29-12-10-28(11-13-29)14-20-15-31-23(24-20)19-8-6-5-7-9-19/h5-9,15,18H,10-14H2,1-4H3,(H,25,30)
InChIKeyDOYZXCMUAHVSOL-UHFFFAOYSA-N
MW438.60 g/mol
LogP3.31
Rot. Bonds6

About 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 134049519) has the molecular formula C23H30N6OS and a molecular weight of 438.60 g/mol. Its IUPAC name is 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID134049519
Molecular FormulaC23H30N6OS
Molecular Weight438.60 g/mol
Exact Mass438.22
IUPAC Name2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)C(C)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C23H30N6OS/c1-16-21(17(2)27(4)26-16)25-22(30)18(3)29-12-10-28(11-13-29)14-20-15-31-23(24-20)19-8-6-5-7-9-19/h5-9,15,18H,10-14H2,1-4H3,(H,25,30)
InChIKeyDOYZXCMUAHVSOL-UHFFFAOYSA-N
XLogP3.31
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(3,4-difluorophenyl)-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 30739495
2-(4-phenylpiperazin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17395059
(2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 30040356
2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 120703470
N-cyclopropyl-2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propanamide
CID 51339316
2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 60501855
3-amino-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 119839413
3-amino-2-methyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 120502707
2,2-dimethyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 37274617
(2S)-N-(4-acetylphenyl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 39985726
N-(1-methoxypropan-2-yl)-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 134049511
2-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-2-yl]benzamide
CID 30214326

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 134049519) is 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)C(C)N1CCN(Cc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is DOYZXCMUAHVSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6OS/c1-16-21(17(2)27(4)26-16)25-22(30)18(3)29-12-10-28(11-13-29)14-20-15-31-23(24-20)19-8-6-5-7-9-19/h5-9,15,18H,10-14H2,1-4H3,(H,25,30).
What are the key properties of 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 438.60 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 134049519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).