2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole

C19H26N4S — CID 171130226

IUPAC2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESc1ccc(CN2CCN(Cc3csc(C4CCCC4)n3)CC2)nc1
InChIInChI=1S/C19H26N4S/c1-2-6-16(5-1)19-21-18(15-24-19)14-23-11-9-22(10-12-23)13-17-7-3-4-8-20-17/h3-4,7-8,15-16H,1-2,5-6,9-14H2
InChIKeyLNNWAFSIQARDPF-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.51
Rot. Bonds5

About 2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole

2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 171130226) has the molecular formula C19H26N4S and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID171130226
Molecular FormulaC19H26N4S
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESc1ccc(CN2CCN(Cc3csc(C4CCCC4)n3)CC2)nc1
InChIInChI=1S/C19H26N4S/c1-2-6-16(5-1)19-21-18(15-24-19)14-23-11-9-22(10-12-23)13-17-7-3-4-8-20-17/h3-4,7-8,15-16H,1-2,5-6,9-14H2
InChIKeyLNNWAFSIQARDPF-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole 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

4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 171130428
2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 82278133
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 119908160
2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 165435501
N-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328418
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56812929
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
2-cyclopropyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-thiazole
CID 126893855
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95767942
[(3R,4R)-1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120758737

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 171130226) is 2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole is c1ccc(CN2CCN(Cc3csc(C4CCCC4)n3)CC2)nc1.
What is the InChIKey of 2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is LNNWAFSIQARDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S/c1-2-6-16(5-1)19-21-18(15-24-19)14-23-11-9-22(10-12-23)13-17-7-3-4-8-20-17/h3-4,7-8,15-16H,1-2,5-6,9-14H2.
What are the key properties of 2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole?
2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 342.51 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 171130226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).