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

C13H22N4S — CID 79385029

IUPAC2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole
SMILESCC1NCCC1CN1CCN(c2nccs2)CC1
InChIInChI=1S/C13H22N4S/c1-11-12(2-3-14-11)10-16-5-7-17(8-6-16)13-15-4-9-18-13/h4,9,11-12,14H,2-3,5-8,10H2,1H3
InChIKeyDMKQXDCKDXXGBI-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.26
Rot. Bonds3

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

2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 79385029) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole
PubChem CID79385029
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole
SMILESCC1NCCC1CN1CCN(c2nccs2)CC1
InChIInChI=1S/C13H22N4S/c1-11-12(2-3-14-11)10-16-5-7-17(8-6-16)13-15-4-9-18-13/h4,9,11-12,14H,2-3,5-8,10H2,1H3
InChIKeyDMKQXDCKDXXGBI-UHFFFAOYSA-N
XLogP1.26
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole (CID 79385029) is 2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole is CC1NCCC1CN1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is DMKQXDCKDXXGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-11-12(2-3-14-11)10-16-5-7-17(8-6-16)13-15-4-9-18-13/h4,9,11-12,14H,2-3,5-8,10H2,1H3.
What are the key properties of 2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole?
2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 266.41 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 79385029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).