2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride

C13H23ClN4S — CID 120967694

IUPAC2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCc1ncc(CN2CCC(N3CCNCC3)C2)s1.Cl
InChIInChI=1S/C13H22N4S.ClH/c1-11-15-8-13(18-11)10-16-5-2-12(9-16)17-6-3-14-4-7-17;/h8,12,14H,2-7,9-10H2,1H3;1H
InChIKeyQHWDVHVTNPFPKR-UHFFFAOYSA-N
MW302.88 g/mol
LogP1.35
Rot. Bonds3

About 2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride

2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride (PubChem CID 120967694) has the molecular formula C13H23ClN4S and a molecular weight of 302.88 g/mol. Its IUPAC name is 2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
PubChem CID120967694
Molecular FormulaC13H23ClN4S
Molecular Weight302.88 g/mol
Exact Mass302.13
IUPAC Name2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCc1ncc(CN2CCC(N3CCNCC3)C2)s1.Cl
InChIInChI=1S/C13H22N4S.ClH/c1-11-15-8-13(18-11)10-16-5-2-12(9-16)17-6-3-14-4-7-17;/h8,12,14H,2-7,9-10H2,1H3;1H
InChIKeyQHWDVHVTNPFPKR-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-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967862
1-[1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968136
4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967611
1-[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]piperazine
CID 120967450
(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 94247072
5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771683
N,N-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrimidin-2-amine
CID 120968118
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968218
5-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 126893073
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967485
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967486

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride (CID 120967694) is 2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride is Cc1ncc(CN2CCC(N3CCNCC3)C2)s1.Cl.
What is the InChIKey of 2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The InChIKey is QHWDVHVTNPFPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S.ClH/c1-11-15-8-13(18-11)10-16-5-2-12(9-16)17-6-3-14-4-7-17;/h8,12,14H,2-7,9-10H2,1H3;1H.
What are the key properties of 2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
2-methyl-5-[(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 2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120967694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).