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

C17H29ClN4S — CID 120967862

IUPAC2-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCl.c1nc(C2CCCC2)sc1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C17H28N4S.ClH/c1-2-4-14(3-1)17-19-11-16(22-17)13-20-8-5-15(12-20)21-9-6-18-7-10-21;/h11,14-15,18H,1-10,12-13H2;1H
InChIKeyYCZOXRQJWVXVKE-UHFFFAOYSA-N
MW356.97 g/mol
LogP2.70
Rot. Bonds4

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

2-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride (PubChem CID 120967862) has the molecular formula C17H29ClN4S and a molecular weight of 356.97 g/mol. Its IUPAC name is 2-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
PubChem CID120967862
Molecular FormulaC17H29ClN4S
Molecular Weight356.97 g/mol
Exact Mass356.18
IUPAC Name2-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
SMILESCl.c1nc(C2CCCC2)sc1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C17H28N4S.ClH/c1-2-4-14(3-1)17-19-11-16(22-17)13-20-8-5-15(12-20)21-9-6-18-7-10-21;/h11,14-15,18H,1-10,12-13H2;1H
InChIKeyYCZOXRQJWVXVKE-UHFFFAOYSA-N
XLogP2.70
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.97
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967694
2-cyclopentyl-5-[[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120825896
5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771683
1-[1-[(5-bromo-4-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968136
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
2-cyclopentyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120909919
1-[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]piperazine
CID 120967450
1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948387
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
4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967611
(3S,4R)-1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769839

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The IUPAC name of 2-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride (CID 120967862) is 2-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride is Cl.c1nc(C2CCCC2)sc1CN1CCC(N2CCNCC2)C1.
What is the InChIKey of 2-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
The InChIKey is YCZOXRQJWVXVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4S.ClH/c1-2-4-14(3-1)17-19-11-16(22-17)13-20-8-5-15(12-20)21-9-6-18-7-10-21;/h11,14-15,18H,1-10,12-13H2;1H.
What are the key properties of 2-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride?
2-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride has a molecular weight of 356.97 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120967862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).