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

C7H10N2S — CID 2513533

IUPAC2-pyrrolidin-1-yl-1,3-thiazole
SMILESc1csc(N2CCCC2)n1
InChIInChI=1S/C7H10N2S/c1-2-5-9(4-1)7-8-3-6-10-7/h3,6H,1-2,4-5H2
InChIKeyMAVYKYRWYBBQGY-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.74
Rot. Bonds1

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

2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 2513533) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID2513533
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name2-pyrrolidin-1-yl-1,3-thiazole
SMILESc1csc(N2CCCC2)n1
InChIInChI=1S/C7H10N2S/c1-2-5-9(4-1)7-8-3-6-10-7/h3,6H,1-2,4-5H2
InChIKeyMAVYKYRWYBBQGY-UHFFFAOYSA-N
XLogP1.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 2-pyrrolidin-1-yl-1,3-thiazole (CID 2513533) is 2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 2-pyrrolidin-1-yl-1,3-thiazole is c1csc(N2CCCC2)n1.
What is the InChIKey of 2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is MAVYKYRWYBBQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-5-9(4-1)7-8-3-6-10-7/h3,6H,1-2,4-5H2.
What are the key properties of 2-pyrrolidin-1-yl-1,3-thiazole?
2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 154.24 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 2513533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).