[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

C10H11F3N2OS — CID 110676613

IUPAC[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(F)(F)F)sc1C(=O)N1CCCC1
InChIInChI=1S/C10H11F3N2OS/c1-6-7(8(16)15-4-2-3-5-15)17-9(14-6)10(11,12)13/h2-5H2,1H3
InChIKeyHQMTXSNGKSXNHU-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.71
Rot. Bonds1

About [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone

[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 110676613) has the molecular formula C10H11F3N2OS and a molecular weight of 264.27 g/mol. Its IUPAC name is [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID110676613
Molecular FormulaC10H11F3N2OS
Molecular Weight264.27 g/mol
Exact Mass264.05
IUPAC Name[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(C(F)(F)F)sc1C(=O)N1CCCC1
InChIInChI=1S/C10H11F3N2OS/c1-6-7(8(16)15-4-2-3-5-15)17-9(14-6)10(11,12)13/h2-5H2,1H3
InChIKeyHQMTXSNGKSXNHU-UHFFFAOYSA-N
XLogP2.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone (CID 110676613) is [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is Cc1nc(C(F)(F)F)sc1C(=O)N1CCCC1.
What is the InChIKey of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HQMTXSNGKSXNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2OS/c1-6-7(8(16)15-4-2-3-5-15)17-9(14-6)10(11,12)13/h2-5H2,1H3.
What are the key properties of [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone?
[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 264.27 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 110676613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).