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

C12H11FN2OS — CID 9174038

IUPAC2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(CC(N)=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2OS/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)
InChIKeyGERWKYNSQRSGOJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.29
Rot. Bonds3

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

2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 9174038) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID9174038
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(CC(N)=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C12H11FN2OS/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)
InChIKeyGERWKYNSQRSGOJ-UHFFFAOYSA-N
XLogP2.29
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide (CID 9174038) is 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide is Cc1sc(CC(N)=O)nc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is GERWKYNSQRSGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/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]acetamide?
2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 250.30 g/mol, XLogP of 2.29, 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]acetamide is sourced from PubChem (CID 9174038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).