2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

C19H13FN4O2S — CID 59683045

IUPAC2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(-c2ccco2)nc(-c2nccs2)n1
InChIInChI=1S/C19H13FN4O2S/c20-13-5-3-12(4-6-13)10-17(25)23-16-11-14(15-2-1-8-26-15)22-18(24-16)19-21-7-9-27-19/h1-9,11H,10H2,(H,22,23,24,25)
InChIKeyHKTWIPDTOMJBCW-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.18
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide

2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (PubChem CID 59683045) has the molecular formula C19H13FN4O2S and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
PubChem CID59683045
Molecular FormulaC19H13FN4O2S
Molecular Weight380.40 g/mol
Exact Mass380.07
IUPAC Name2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1cc(-c2ccco2)nc(-c2nccs2)n1
InChIInChI=1S/C19H13FN4O2S/c20-13-5-3-12(4-6-13)10-17(25)23-16-11-14(15-2-1-8-26-15)22-18(24-16)19-21-7-9-27-19/h1-9,11H,10H2,(H,22,23,24,25)
InChIKeyHKTWIPDTOMJBCW-UHFFFAOYSA-N
XLogP4.18
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide (CID 59683045) is 2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is O=C(Cc1ccc(F)cc1)Nc1cc(-c2ccco2)nc(-c2nccs2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
The InChIKey is HKTWIPDTOMJBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S/c20-13-5-3-12(4-6-13)10-17(25)23-16-11-14(15-2-1-8-26-15)22-18(24-16)19-21-7-9-27-19/h1-9,11H,10H2,(H,22,23,24,25).
What are the key properties of 2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide?
2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide has a molecular weight of 380.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[6-(furan-2-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 59683045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).