4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole

C12H19N3S — CID 62272896

IUPAC4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole
SMILESCc1csc(N2CCCC2C2CCCN2)n1
InChIInChI=1S/C12H19N3S/c1-9-8-16-12(14-9)15-7-3-5-11(15)10-4-2-6-13-10/h8,10-11,13H,2-7H2,1H3
InChIKeyCIQHOCKLUKMVLP-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.17
Rot. Bonds2

About 4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole

4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole (PubChem CID 62272896) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole
PubChem CID62272896
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole
SMILESCc1csc(N2CCCC2C2CCCN2)n1
InChIInChI=1S/C12H19N3S/c1-9-8-16-12(14-9)15-7-3-5-11(15)10-4-2-6-13-10/h8,10-11,13H,2-7H2,1H3
InChIKeyCIQHOCKLUKMVLP-UHFFFAOYSA-N
XLogP2.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole (CID 62272896) is 4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole is Cc1csc(N2CCCC2C2CCCN2)n1.
What is the InChIKey of 4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole?
The InChIKey is CIQHOCKLUKMVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9-8-16-12(14-9)15-7-3-5-11(15)10-4-2-6-13-10/h8,10-11,13H,2-7H2,1H3.
What are the key properties of 4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole?
4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole has a molecular weight of 237.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-1,3-thiazole is sourced from PubChem (CID 62272896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).