N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide

C18H16FN3O3S — CID 55976288

IUPACN-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide
SMILESCc1cc(-c2csc(NC(=O)CNC(=O)c3ccccc3F)n2)c(C)o1
InChIInChI=1S/C18H16FN3O3S/c1-10-7-13(11(2)25-10)15-9-26-18(21-15)22-16(23)8-20-17(24)12-5-3-4-6-14(12)19/h3-7,9H,8H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyOULWDBGTGJJUIG-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.53
Rot. Bonds5

About N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 55976288) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID55976288
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide
SMILESCc1cc(-c2csc(NC(=O)CNC(=O)c3ccccc3F)n2)c(C)o1
InChIInChI=1S/C18H16FN3O3S/c1-10-7-13(11(2)25-10)15-9-26-18(21-15)22-16(23)8-20-17(24)12-5-3-4-6-14(12)19/h3-7,9H,8H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyOULWDBGTGJJUIG-UHFFFAOYSA-N
XLogP3.53
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide (CID 55976288) is N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide is Cc1cc(-c2csc(NC(=O)CNC(=O)c3ccccc3F)n2)c(C)o1.
What is the InChIKey of N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is OULWDBGTGJJUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-10-7-13(11(2)25-10)15-9-26-18(21-15)22-16(23)8-20-17(24)12-5-3-4-6-14(12)19/h3-7,9H,8H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 373.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 55976288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).