N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide

C18H15FN2OS — CID 741561

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C18H15FN2OS/c1-12-2-6-14(7-3-12)17(22)21-18-20-11-16(23-18)10-13-4-8-15(19)9-5-13/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyZHKIDRNEEXYPEE-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.43
Rot. Bonds4

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

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide (PubChem CID 741561) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
PubChem CID741561
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C18H15FN2OS/c1-12-2-6-14(7-3-12)17(22)21-18-20-11-16(23-18)10-13-4-8-15(19)9-5-13/h2-9,11H,10H2,1H3,(H,20,21,22)
InChIKeyZHKIDRNEEXYPEE-UHFFFAOYSA-N
XLogP4.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide (CID 741561) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide?
The InChIKey is ZHKIDRNEEXYPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-12-2-6-14(7-3-12)17(22)21-18-20-11-16(23-18)10-13-4-8-15(19)9-5-13/h2-9,11H,10H2,1H3,(H,20,21,22).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide has a molecular weight of 326.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 741561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).