2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal

C16H20F3N5OS — CID 175273551

IUPAC2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal
SMILESCc1cc(C(F)(F)F)nn1CC(C=O)N1CCC(c2nc(N)cs2)CC1
InChIInChI=1S/C16H20F3N5OS/c1-10-6-13(16(17,18)19)22-24(10)7-12(8-25)23-4-2-11(3-5-23)15-21-14(20)9-26-15/h6,8-9,11-12H,2-5,7,20H2,1H3
InChIKeyGAMBCKBUKGXODK-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.70
Rot. Bonds5

About 2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal

2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal (PubChem CID 175273551) has the molecular formula C16H20F3N5OS and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal.

Molecular Properties

Compound Name2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal
PubChem CID175273551
Molecular FormulaC16H20F3N5OS
Molecular Weight387.43 g/mol
Exact Mass387.13
IUPAC Name2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal
SMILESCc1cc(C(F)(F)F)nn1CC(C=O)N1CCC(c2nc(N)cs2)CC1
InChIInChI=1S/C16H20F3N5OS/c1-10-6-13(16(17,18)19)22-24(10)7-12(8-25)23-4-2-11(3-5-23)15-21-14(20)9-26-15/h6,8-9,11-12H,2-5,7,20H2,1H3
InChIKeyGAMBCKBUKGXODK-UHFFFAOYSA-N
XLogP2.70
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal 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

1-[4-(4-Amino-thiazol-2-yl)-piperidin-1-yl]-2-(5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone
CID 66956401
2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate
CID 164667807
1-[4-(4-Ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 59140460
1-[4-(4-Amino-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;hydrochloride
CID 66956424
[2-[1-[2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamic acid
CID 66957000
1-[4-(4-Amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 67608550
4-(4-formyl-2-thiazolyl)-1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]piperidine
CID 86631244
2-[1-[1-[3,5-Bis(difluoromethyl)pyrazol-1-yl]-2-oxoethyl]piperidin-4-yl]-1,3-thiazole-4-carbaldehyde
CID 87560455
1-[4-(4-Ethanimidoyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 88890668
1-[4-(2-Amino-1,3-thiazol-4-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 89514721
1-[4-[4-(Methylamino)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 161868952
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 173792921

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal?
The IUPAC name of 2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal (CID 175273551) is 2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal.
What is the SMILES notation for 2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal?
The canonical SMILES for 2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal is Cc1cc(C(F)(F)F)nn1CC(C=O)N1CCC(c2nc(N)cs2)CC1.
What is the InChIKey of 2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal?
The InChIKey is GAMBCKBUKGXODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5OS/c1-10-6-13(16(17,18)19)22-24(10)7-12(8-25)23-4-2-11(3-5-23)15-21-14(20)9-26-15/h6,8-9,11-12H,2-5,7,20H2,1H3.
What are the key properties of 2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal?
2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal has a molecular weight of 387.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-1,3-thiazol-2-yl)piperidin-1-yl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanal is sourced from PubChem (CID 175273551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).