4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole

C13H22N4S — CID 91832296

IUPAC4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCc1csc(CN2CCN(C3CCNC3)CC2)n1
InChIInChI=1S/C13H22N4S/c1-11-10-18-13(15-11)9-16-4-6-17(7-5-16)12-2-3-14-8-12/h10,12,14H,2-9H2,1H3
InChIKeyLRYLAUIIDPFHGQ-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.93
Rot. Bonds3

About 4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole

4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 91832296) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID91832296
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESCc1csc(CN2CCN(C3CCNC3)CC2)n1
InChIInChI=1S/C13H22N4S/c1-11-10-18-13(15-11)9-16-4-6-17(7-5-16)12-2-3-14-8-12/h10,12,14H,2-9H2,1H3
InChIKeyLRYLAUIIDPFHGQ-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole (CID 91832296) is 4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole is Cc1csc(CN2CCN(C3CCNC3)CC2)n1.
What is the InChIKey of 4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is LRYLAUIIDPFHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-11-10-18-13(15-11)9-16-4-6-17(7-5-16)12-2-3-14-8-12/h10,12,14H,2-9H2,1H3.
What are the key properties of 4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole?
4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 266.41 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 91832296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).