1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone

C10H13FN2OS — CID 118674854

IUPAC1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N2CC[C@@H](F)C2)nc1C
InChIInChI=1S/C10H13FN2OS/c1-6-9(7(2)14)15-10(12-6)13-4-3-8(11)5-13/h8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyBANVBCPZNGWQED-MRVPVSSYSA-N
MW228.29 g/mol
LogP2.20
Rot. Bonds2

About 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 118674854) has the molecular formula C10H13FN2OS and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID118674854
Molecular FormulaC10H13FN2OS
Molecular Weight228.29 g/mol
Exact Mass228.07
IUPAC Name1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N2CC[C@@H](F)C2)nc1C
InChIInChI=1S/C10H13FN2OS/c1-6-9(7(2)14)15-10(12-6)13-4-3-8(11)5-13/h8H,3-5H2,1-2H3/t8-/m1/s1
InChIKeyBANVBCPZNGWQED-MRVPVSSYSA-N
XLogP2.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 118674854) is 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N2CC[C@@H](F)C2)nc1C.
What is the InChIKey of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is BANVBCPZNGWQED-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13FN2OS/c1-6-9(7(2)14)15-10(12-6)13-4-3-8(11)5-13/h8H,3-5H2,1-2H3/t8-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 228.29 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 118674854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).