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

C7H10N2S — CID 82595495

IUPAC5-pyrrolidin-2-yl-1,3-thiazole
SMILESc1ncc(C2CCCN2)s1
InChIInChI=1S/C7H10N2S/c1-2-6(9-3-1)7-4-8-5-10-7/h4-6,9H,1-3H2
InChIKeyUGRXTLJACROROK-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.57
Rot. Bonds1

About 5-pyrrolidin-2-yl-1,3-thiazole

5-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 82595495) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-1,3-thiazole
PubChem CID82595495
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name5-pyrrolidin-2-yl-1,3-thiazole
SMILESc1ncc(C2CCCN2)s1
InChIInChI=1S/C7H10N2S/c1-2-6(9-3-1)7-4-8-5-10-7/h4-6,9H,1-3H2
InChIKeyUGRXTLJACROROK-UHFFFAOYSA-N
XLogP1.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 5-pyrrolidin-2-yl-1,3-thiazole (CID 82595495) is 5-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 5-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 5-pyrrolidin-2-yl-1,3-thiazole is c1ncc(C2CCCN2)s1.
What is the InChIKey of 5-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is UGRXTLJACROROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-2-6(9-3-1)7-4-8-5-10-7/h4-6,9H,1-3H2.
What are the key properties of 5-pyrrolidin-2-yl-1,3-thiazole?
5-pyrrolidin-2-yl-1,3-thiazole has a molecular weight of 154.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 82595495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).