3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide

C20H17FN4O3S — CID 60551770

IUPAC3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc(-c3ccccc3F)cs2)c1
InChIInChI=1S/C20H17FN4O3S/c1-11(26)22-14-7-13(8-15(9-14)23-12(2)27)19(28)25-20-24-18(10-29-20)16-5-3-4-6-17(16)21/h3-10H,1-2H3,(H,22,26)(H,23,27)(H,24,25,28)
InChIKeyZCSPFEJRRAEKME-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.12
Rot. Bonds5

About 3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide

3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 60551770) has the molecular formula C20H17FN4O3S and a molecular weight of 412.45 g/mol. Its IUPAC name is 3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID60551770
Molecular FormulaC20H17FN4O3S
Molecular Weight412.45 g/mol
Exact Mass412.10
IUPAC Name3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc(-c3ccccc3F)cs2)c1
InChIInChI=1S/C20H17FN4O3S/c1-11(26)22-14-7-13(8-15(9-14)23-12(2)27)19(28)25-20-24-18(10-29-20)16-5-3-4-6-17(16)21/h3-10H,1-2H3,(H,22,26)(H,23,27)(H,24,25,28)
InChIKeyZCSPFEJRRAEKME-UHFFFAOYSA-N
XLogP4.12
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 87043271
methyl 4-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 60551769
5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 46969057
4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4844502
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 24556422
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
4-acetamido-N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 30731933
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 162691696
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
3,5-diacetamido-N-(4-cyclopropyl-1,3-thiazol-2-yl)benzamide
CID 32863174
2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 78868970
N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 17404298

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 60551770) is 3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2nc(-c3ccccc3F)cs2)c1.
What is the InChIKey of 3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is ZCSPFEJRRAEKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S/c1-11(26)22-14-7-13(8-15(9-14)23-12(2)27)19(28)25-20-24-18(10-29-20)16-5-3-4-6-17(16)21/h3-10H,1-2H3,(H,22,26)(H,23,27)(H,24,25,28).
What are the key properties of 3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 412.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 60551770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).