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

C19H16FN3O2S — CID 87043271

IUPAC3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2nc(-c3ccccc3F)cs2)ccc1C
InChIInChI=1S/C19H16FN3O2S/c1-11-7-8-13(9-16(11)21-12(2)24)18(25)23-19-22-17(10-26-19)14-5-3-4-6-15(14)20/h3-10H,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyUADZLCQHIMPLHP-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.47
Rot. Bonds4

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

3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide (PubChem CID 87043271) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
PubChem CID87043271
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2nc(-c3ccccc3F)cs2)ccc1C
InChIInChI=1S/C19H16FN3O2S/c1-11-7-8-13(9-16(11)21-12(2)24)18(25)23-19-22-17(10-26-19)14-5-3-4-6-15(14)20/h3-10H,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyUADZLCQHIMPLHP-UHFFFAOYSA-N
XLogP4.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diacetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 60551770
methyl 4-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 60551769
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-fluoro-4-methylbenzamide
CID 39036652
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
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 46969057
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 162691696
2,6-dichloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 78868970
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 39038759
N-[4-(2,6-difluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide
CID 39038251

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide?
The IUPAC name of 3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide (CID 87043271) is 3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for 3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide is CC(=O)Nc1cc(C(=O)Nc2nc(-c3ccccc3F)cs2)ccc1C.
What is the InChIKey of 3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide?
The InChIKey is UADZLCQHIMPLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c1-11-7-8-13(9-16(11)21-12(2)24)18(25)23-19-22-17(10-26-19)14-5-3-4-6-15(14)20/h3-10H,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide?
3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide has a molecular weight of 369.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 87043271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).