4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole

C16H22N4S2 — CID 120968486

IUPAC4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2nc(CN3CCC(N4CCNCC4)C3)cs2)c1
InChIInChI=1S/C16H22N4S2/c1-2-15(21-9-1)16-18-13(12-22-16)10-19-6-3-14(11-19)20-7-4-17-5-8-20/h1-2,9,12,14,17H,3-8,10-11H2
InChIKeyXMZGEWRAVSTSGE-UHFFFAOYSA-N
MW334.51 g/mol
LogP2.35
Rot. Bonds4

About 4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole

4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole (PubChem CID 120968486) has the molecular formula C16H22N4S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole
PubChem CID120968486
Molecular FormulaC16H22N4S2
Molecular Weight334.51 g/mol
Exact Mass334.13
IUPAC Name4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole
SMILESc1csc(-c2nc(CN3CCC(N4CCNCC4)C3)cs2)c1
InChIInChI=1S/C16H22N4S2/c1-2-15(21-9-1)16-18-13(12-22-16)10-19-6-3-14(11-19)20-7-4-17-5-8-20/h1-2,9,12,14,17H,3-8,10-11H2
InChIKeyXMZGEWRAVSTSGE-UHFFFAOYSA-N
XLogP2.35
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenyl)-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 120968224
2-(1,3-benzodioxol-5-yl)-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 120968502
4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 66197338
1-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 111113942
4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967611
N-(4-methylphenyl)-N-[4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 120968058
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
CID 51178058
[1-benzyl-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-3-yl]methanol
CID 75373117
1-(1,4-diazepan-1-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 119417999
4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120968361
(1-methylimidazol-2-yl)-[1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanol
CID 45230799

Frequently Asked Questions

What is the IUPAC name of 4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole (CID 120968486) is 4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole is c1csc(-c2nc(CN3CCC(N4CCNCC4)C3)cs2)c1.
What is the InChIKey of 4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is XMZGEWRAVSTSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S2/c1-2-15(21-9-1)16-18-13(12-22-16)10-19-6-3-14(11-19)20-7-4-17-5-8-20/h1-2,9,12,14,17H,3-8,10-11H2.
What are the key properties of 4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole?
4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 334.51 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 120968486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).