2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide

C12H11FN2S2 — CID 116868765

IUPAC2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide
SMILESCc1sc(CC(N)=S)nc1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2S2/c1-7-12(8-2-4-9(13)5-3-8)15-11(17-7)6-10(14)16/h2-5H,6H2,1H3,(H2,14,16)
InChIKeyCUEUUGCKDZYUAY-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.09
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide

2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide (PubChem CID 116868765) has the molecular formula C12H11FN2S2 and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide
PubChem CID116868765
Molecular FormulaC12H11FN2S2
Molecular Weight266.37 g/mol
Exact Mass266.03
IUPAC Name2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide
SMILESCc1sc(CC(N)=S)nc1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2S2/c1-7-12(8-2-4-9(13)5-3-8)15-11(17-7)6-10(14)16/h2-5H,6H2,1H3,(H2,14,16)
InChIKeyCUEUUGCKDZYUAY-UHFFFAOYSA-N
XLogP3.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide (CID 116868765) is 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide is Cc1sc(CC(N)=S)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide?
The InChIKey is CUEUUGCKDZYUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2S2/c1-7-12(8-2-4-9(13)5-3-8)15-11(17-7)6-10(14)16/h2-5H,6H2,1H3,(H2,14,16).
What are the key properties of 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide?
2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide has a molecular weight of 266.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanethioamide is sourced from PubChem (CID 116868765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).