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

C22H23FN2O2S — CID 7518146

IUPACN-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-propan-2-yloxybenzamide
SMILESCc1nc(-c2cccc(F)c2)sc1CCNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H23FN2O2S/c1-14(2)27-19-9-7-16(8-10-19)21(26)24-12-11-20-15(3)25-22(28-20)17-5-4-6-18(23)13-17/h4-10,13-14H,11-12H2,1-3H3,(H,24,26)
InChIKeyZVNAWSRKLWIRKE-UHFFFAOYSA-N
MW398.50 g/mol
LogP5.02
Rot. Bonds7

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

N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-propan-2-yloxybenzamide (PubChem CID 7518146) has the molecular formula C22H23FN2O2S and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-propan-2-yloxybenzamide
PubChem CID7518146
Molecular FormulaC22H23FN2O2S
Molecular Weight398.50 g/mol
Exact Mass398.15
IUPAC NameN-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-propan-2-yloxybenzamide
SMILESCc1nc(-c2cccc(F)c2)sc1CCNC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H23FN2O2S/c1-14(2)27-19-9-7-16(8-10-19)21(26)24-12-11-20-15(3)25-22(28-20)17-5-4-6-18(23)13-17/h4-10,13-14H,11-12H2,1-3H3,(H,24,26)
InChIKeyZVNAWSRKLWIRKE-UHFFFAOYSA-N
XLogP5.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-propan-2-yloxybenzamide (CID 7518146) is N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-propan-2-yloxybenzamide is Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-propan-2-yloxybenzamide?
The InChIKey is ZVNAWSRKLWIRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2S/c1-14(2)27-19-9-7-16(8-10-19)21(26)24-12-11-20-15(3)25-22(28-20)17-5-4-6-18(23)13-17/h4-10,13-14H,11-12H2,1-3H3,(H,24,26).
What are the key properties of N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-propan-2-yloxybenzamide?
N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-propan-2-yloxybenzamide has a molecular weight of 398.50 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 7518146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).