5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole

C10H15FN2S — CID 84783506

IUPAC5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
SMILESCC(C)(F)c1cnc(C2CCNC2)s1
InChIInChI=1S/C10H15FN2S/c1-10(2,11)8-6-13-9(14-8)7-3-4-12-5-7/h6-7,12H,3-5H2,1-2H3
InChIKeyRLJQLQGXNGKGHF-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.42
Rot. Bonds2

About 5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole

5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 84783506) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
PubChem CID84783506
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
SMILESCC(C)(F)c1cnc(C2CCNC2)s1
InChIInChI=1S/C10H15FN2S/c1-10(2,11)8-6-13-9(14-8)7-3-4-12-5-7/h6-7,12H,3-5H2,1-2H3
InChIKeyRLJQLQGXNGKGHF-UHFFFAOYSA-N
XLogP2.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole (CID 84783506) is 5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole is CC(C)(F)c1cnc(C2CCNC2)s1.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is RLJQLQGXNGKGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-10(2,11)8-6-13-9(14-8)7-3-4-12-5-7/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole?
5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 214.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 84783506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).