4-methyl-2-pyrrolidin-1-yl-1,3-thiazole

C8H12N2S — CID 2513439

IUPAC4-methyl-2-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1csc(N2CCCC2)n1
InChIInChI=1S/C8H12N2S/c1-7-6-11-8(9-7)10-4-2-3-5-10/h6H,2-5H2,1H3
InChIKeyXFAABPUSPQCRIY-UHFFFAOYSA-N
MW168.27 g/mol
LogP2.05
Rot. Bonds1

About 4-methyl-2-pyrrolidin-1-yl-1,3-thiazole

4-methyl-2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 2513439) has the molecular formula C8H12N2S and a molecular weight of 168.27 g/mol. Its IUPAC name is 4-methyl-2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID2513439
Molecular FormulaC8H12N2S
Molecular Weight168.27 g/mol
Exact Mass168.07
IUPAC Name4-methyl-2-pyrrolidin-1-yl-1,3-thiazole
SMILESCc1csc(N2CCCC2)n1
InChIInChI=1S/C8H12N2S/c1-7-6-11-8(9-7)10-4-2-3-5-10/h6H,2-5H2,1H3
InChIKeyXFAABPUSPQCRIY-UHFFFAOYSA-N
XLogP2.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-pyrrolidin-1-yl-1,3-thiazole (CID 2513439) is 4-methyl-2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pyrrolidin-1-yl-1,3-thiazole is Cc1csc(N2CCCC2)n1.
What is the InChIKey of 4-methyl-2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is XFAABPUSPQCRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-7-6-11-8(9-7)10-4-2-3-5-10/h6H,2-5H2,1H3.
What are the key properties of 4-methyl-2-pyrrolidin-1-yl-1,3-thiazole?
4-methyl-2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 168.27 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 2513439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).