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

C18H13FN4O3S2 — CID 51115898

IUPAC2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1sc(=O)n(CC(=O)Nc2nnc(-c3ccco3)s2)c1-c1ccc(F)cc1
InChIInChI=1S/C18H13FN4O3S2/c1-10-15(11-4-6-12(19)7-5-11)23(18(25)27-10)9-14(24)20-17-22-21-16(28-17)13-3-2-8-26-13/h2-8H,9H2,1H3,(H,20,22,24)
InChIKeyMTJBHMUXSZSWPN-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.77
Rot. Bonds5

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

2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 51115898) has the molecular formula C18H13FN4O3S2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID51115898
Molecular FormulaC18H13FN4O3S2
Molecular Weight416.46 g/mol
Exact Mass416.04
IUPAC Name2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1sc(=O)n(CC(=O)Nc2nnc(-c3ccco3)s2)c1-c1ccc(F)cc1
InChIInChI=1S/C18H13FN4O3S2/c1-10-15(11-4-6-12(19)7-5-11)23(18(25)27-10)9-14(24)20-17-22-21-16(28-17)13-3-2-8-26-13/h2-8H,9H2,1H3,(H,20,22,24)
InChIKeyMTJBHMUXSZSWPN-UHFFFAOYSA-N
XLogP3.77
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide (CID 51115898) is 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is Cc1sc(=O)n(CC(=O)Nc2nnc(-c3ccco3)s2)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MTJBHMUXSZSWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O3S2/c1-10-15(11-4-6-12(19)7-5-11)23(18(25)27-10)9-14(24)20-17-22-21-16(28-17)13-3-2-8-26-13/h2-8H,9H2,1H3,(H,20,22,24).
What are the key properties of 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 416.46 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 51115898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).