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

C18H15FN2OS — CID 857526

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H15FN2OS/c1-12-5-3-4-6-15(12)17(22)21(2)18-20-16(11-23-18)13-7-9-14(19)10-8-13/h3-11H,1-2H3
InChIKeyPFSMAJMEGYQDOA-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.53
Rot. Bonds3

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

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide (PubChem CID 857526) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide
PubChem CID857526
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)c1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H15FN2OS/c1-12-5-3-4-6-15(12)17(22)21(2)18-20-16(11-23-18)13-7-9-14(19)10-8-13/h3-11H,1-2H3
InChIKeyPFSMAJMEGYQDOA-UHFFFAOYSA-N
XLogP4.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-(2-methylbenzoyl)amino]propyl-dimethylazanium
CID 7130234
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methylacetamide
CID 857450
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,4,5-trimethoxy-N-methylbenzamide
CID 1176039
N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1175892
2-[methyl-(4-naphthalen-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 70031085
N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 861587
N-(furan-2-ylmethyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1374213
N-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]propyl]acetamide
CID 133372919
diethyl-[3-[(2-methylbenzoyl)-(4-phenyl-1,3-thiazol-2-yl)amino]propyl]azanium
CID 7124820
N-(furan-2-ylmethyl)-2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139470
3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-methylpropanoic acid
CID 82310167
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide (CID 857526) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide is Cc1ccccc1C(=O)N(C)c1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide?
The InChIKey is PFSMAJMEGYQDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-12-5-3-4-6-15(12)17(22)21(2)18-20-16(11-23-18)13-7-9-14(19)10-8-13/h3-11H,1-2H3.
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,2-dimethylbenzamide is sourced from PubChem (CID 857526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).