N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide

C21H16FN5O2S2 — CID 55460596

IUPACN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)Cc3csc(-c4cccnc4)n3)n2)c(F)c1
InChIInChI=1S/C21H16FN5O2S2/c1-12(28)24-14-4-5-16(17(22)7-14)18-11-31-21(26-18)27-19(29)8-15-10-30-20(25-15)13-3-2-6-23-9-13/h2-7,9-11H,8H2,1H3,(H,24,28)(H,26,27,29)
InChIKeyKCPCDOBGFICKES-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.61
Rot. Bonds6

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

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 55460596) has the molecular formula C21H16FN5O2S2 and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID55460596
Molecular FormulaC21H16FN5O2S2
Molecular Weight453.52 g/mol
Exact Mass453.07
IUPAC NameN-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)Cc3csc(-c4cccnc4)n3)n2)c(F)c1
InChIInChI=1S/C21H16FN5O2S2/c1-12(28)24-14-4-5-16(17(22)7-14)18-11-31-21(26-18)27-19(29)8-15-10-30-20(25-15)13-3-2-6-23-9-13/h2-7,9-11H,8H2,1H3,(H,24,28)(H,26,27,29)
InChIKeyKCPCDOBGFICKES-UHFFFAOYSA-N
XLogP4.61
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24556479
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8921005
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
N-[3-fluoro-4-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356448
N-[3-[[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]amino]phenyl]butanamide
CID 87026182
2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749070
N-(2-acetamidoethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084427
N-(3,5-dimethoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9192230
N-[3-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173860
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51206133
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 51204701

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide (CID 55460596) is N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3csc(-c4cccnc4)n3)n2)c(F)c1.
What is the InChIKey of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is KCPCDOBGFICKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2S2/c1-12(28)24-14-4-5-16(17(22)7-14)18-11-31-21(26-18)27-19(29)8-15-10-30-20(25-15)13-3-2-6-23-9-13/h2-7,9-11H,8H2,1H3,(H,24,28)(H,26,27,29).
What are the key properties of N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide?
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 453.52 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 55460596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).