5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole

C8H12N2S — CID 96738729

IUPAC5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole
SMILESc1ncc(C[C@H]2CCCN2)s1
InChIInChI=1S/C8H12N2S/c1-2-7(10-3-1)4-8-5-9-6-11-8/h5-7,10H,1-4H2/t7-/m1/s1
InChIKeyQBFUWSKLBGMWOT-SSDOTTSWSA-N
MW168.26 g/mol
LogP1.44
Rot. Bonds2

About 5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole

5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole (PubChem CID 96738729) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole
PubChem CID96738729
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole
SMILESc1ncc(C[C@H]2CCCN2)s1
InChIInChI=1S/C8H12N2S/c1-2-7(10-3-1)4-8-5-9-6-11-8/h5-7,10H,1-4H2/t7-/m1/s1
InChIKeyQBFUWSKLBGMWOT-SSDOTTSWSA-N
XLogP1.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole (CID 96738729) is 5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole is c1ncc(C[C@H]2CCCN2)s1.
What is the InChIKey of 5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole?
The InChIKey is QBFUWSKLBGMWOT-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2S/c1-2-7(10-3-1)4-8-5-9-6-11-8/h5-7,10H,1-4H2/t7-/m1/s1.
What are the key properties of 5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole?
5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole has a molecular weight of 168.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 96738729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).