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

C16H13FN2O2S — CID 2464348

IUPAC2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)o1
InChIInChI=1S/C16H13FN2O2S/c1-10-2-7-14(21-10)13-9-22-16(18-13)19-15(20)8-11-3-5-12(17)6-4-11/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyQJTFSZFYOWRTLZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.03
Rot. Bonds4

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

2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 2464348) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID2464348
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC Name2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)o1
InChIInChI=1S/C16H13FN2O2S/c1-10-2-7-14(21-10)13-9-22-16(18-13)19-15(20)8-11-3-5-12(17)6-4-11/h2-7,9H,8H2,1H3,(H,18,19,20)
InChIKeyQJTFSZFYOWRTLZ-UHFFFAOYSA-N
XLogP4.03
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide (CID 2464348) is 2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is QJTFSZFYOWRTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c1-10-2-7-14(21-10)13-9-22-16(18-13)19-15(20)8-11-3-5-12(17)6-4-11/h2-7,9H,8H2,1H3,(H,18,19,20).
What are the key properties of 2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide?
2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 316.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2464348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).