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

C17H13FN2O2S — CID 868787

IUPACN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H13FN2O2S/c1-22-15-5-3-2-4-13(15)16(21)20-17-19-14(10-23-17)11-6-8-12(18)9-7-11/h2-10H,1H3,(H,19,20,21)
InChIKeyUYWJBYFBDVIUOF-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.21
Rot. Bonds4

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

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide (PubChem CID 868787) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
PubChem CID868787
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC NameN-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1
InChIInChI=1S/C17H13FN2O2S/c1-22-15-5-3-2-4-13(15)16(21)20-17-19-14(10-23-17)11-6-8-12(18)9-7-11/h2-10H,1H3,(H,19,20,21)
InChIKeyUYWJBYFBDVIUOF-UHFFFAOYSA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]sulfanylpropanoate
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N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
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2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide (CID 868787) is N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)cs1.
What is the InChIKey of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide?
The InChIKey is UYWJBYFBDVIUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c1-22-15-5-3-2-4-13(15)16(21)20-17-19-14(10-23-17)11-6-8-12(18)9-7-11/h2-10H,1H3,(H,19,20,21).
What are the key properties of N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide?
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide has a molecular weight of 328.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 868787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).