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

C13H23ClN4S — CID 120967611

IUPAC4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCc1csc(CN2CCC(N3CCNCC3)C2)n1.Cl
InChIInChI=1S/C13H22N4S.ClH/c1-11-10-18-13(15-11)9-16-5-2-12(8-16)17-6-3-14-4-7-17;/h10,12,14H,2-9H2,1H3;1H
InChIKeyIBNSGFNFBIDOTJ-UHFFFAOYSA-N
MW302.88 g/mol
LogP1.35
Rot. Bonds3

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

4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride (PubChem CID 120967611) has the molecular formula C13H23ClN4S and a molecular weight of 302.88 g/mol. Its IUPAC name is 4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
PubChem CID120967611
Molecular FormulaC13H23ClN4S
Molecular Weight302.88 g/mol
Exact Mass302.13
IUPAC Name4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCc1csc(CN2CCC(N3CCNCC3)C2)n1.Cl
InChIInChI=1S/C13H22N4S.ClH/c1-11-10-18-13(15-11)9-16-5-2-12(8-16)17-6-3-14-4-7-17;/h10,12,14H,2-9H2,1H3;1H
InChIKeyIBNSGFNFBIDOTJ-UHFFFAOYSA-N
XLogP1.35
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.88
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole
CID 115314298
4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 91832296
4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120968361
2-(4-methylphenyl)-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 120968224
2-[[4-(1-ethylpiperidin-4-yl)-1,4-diazepan-1-yl]methyl]-4-methyl-1,3-thiazole
CID 126422753
2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967694
4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-thiophen-2-yl-1,3-thiazole
CID 120968486
2-[(3-bromopiperidin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 80680098
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
6-methoxy-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-benzothiazole;hydrochloride
CID 120968147
N-(4-methylphenyl)-N-[4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 120968058
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968218

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride (CID 120967611) is 4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride is Cc1csc(CN2CCC(N3CCNCC3)C2)n1.Cl.
What is the InChIKey of 4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The InChIKey is IBNSGFNFBIDOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S.ClH/c1-11-10-18-13(15-11)9-16-5-2-12(8-16)17-6-3-14-4-7-17;/h10,12,14H,2-9H2,1H3;1H.
What are the key properties of 4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride has a molecular weight of 302.88 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120967611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).