4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole

C11H17FN2S — CID 84792291

IUPAC4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESCC(C)(F)c1csc(CC2CCNC2)n1
InChIInChI=1S/C11H17FN2S/c1-11(2,12)9-7-15-10(14-9)5-8-3-4-13-6-8/h7-8,13H,3-6H2,1-2H3
InChIKeySCPHNOQYLDODME-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.50
Rot. Bonds3

About 4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole

4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole (PubChem CID 84792291) has the molecular formula C11H17FN2S and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
PubChem CID84792291
Molecular FormulaC11H17FN2S
Molecular Weight228.34 g/mol
Exact Mass228.11
IUPAC Name4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESCC(C)(F)c1csc(CC2CCNC2)n1
InChIInChI=1S/C11H17FN2S/c1-11(2,12)9-7-15-10(14-9)5-8-3-4-13-6-8/h7-8,13H,3-6H2,1-2H3
InChIKeySCPHNOQYLDODME-UHFFFAOYSA-N
XLogP2.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole (CID 84792291) is 4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole is CC(C)(F)c1csc(CC2CCNC2)n1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The InChIKey is SCPHNOQYLDODME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2S/c1-11(2,12)9-7-15-10(14-9)5-8-3-4-13-6-8/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole has a molecular weight of 228.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 84792291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).