2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide

C17H14FN3O3S2 — CID 2591248

IUPAC2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSc1nc(-c2ccc(F)cc2)cs1)NC(=O)NCc1ccco1
InChIInChI=1S/C17H14FN3O3S2/c18-12-5-3-11(4-6-12)14-9-25-17(20-14)26-10-15(22)21-16(23)19-8-13-2-1-7-24-13/h1-7,9H,8,10H2,(H2,19,21,22,23)
InChIKeyOYDVEOBDCKEERN-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.66
Rot. Bonds6

About 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide

2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide (PubChem CID 2591248) has the molecular formula C17H14FN3O3S2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
PubChem CID2591248
Molecular FormulaC17H14FN3O3S2
Molecular Weight391.45 g/mol
Exact Mass391.05
IUPAC Name2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CSc1nc(-c2ccc(F)cc2)cs1)NC(=O)NCc1ccco1
InChIInChI=1S/C17H14FN3O3S2/c18-12-5-3-11(4-6-12)14-9-25-17(20-14)26-10-15(22)21-16(23)19-8-13-2-1-7-24-13/h1-7,9H,8,10H2,(H2,19,21,22,23)
InChIKeyOYDVEOBDCKEERN-UHFFFAOYSA-N
XLogP3.66
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide (CID 2591248) is 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide is O=C(CSc1nc(-c2ccc(F)cc2)cs1)NC(=O)NCc1ccco1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
The InChIKey is OYDVEOBDCKEERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3S2/c18-12-5-3-11(4-6-12)14-9-25-17(20-14)26-10-15(22)21-16(23)19-8-13-2-1-7-24-13/h1-7,9H,8,10H2,(H2,19,21,22,23).
What are the key properties of 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide?
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide has a molecular weight of 391.45 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(furan-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 2591248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).