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

C19H17FN2OS — CID 7207718

IUPACN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccccc1
InChIInChI=1S/C19H17FN2OS/c1-13-17(11-12-21-18(23)14-5-3-2-4-6-14)24-19(22-13)15-7-9-16(20)10-8-15/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyIXLPYSDBWHVBHX-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.23
Rot. Bonds5

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

N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide (PubChem CID 7207718) has the molecular formula C19H17FN2OS and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
PubChem CID7207718
Molecular FormulaC19H17FN2OS
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC NameN-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccccc1
InChIInChI=1S/C19H17FN2OS/c1-13-17(11-12-21-18(23)14-5-3-2-4-6-14)24-19(22-13)15-7-9-16(20)10-8-15/h2-10H,11-12H2,1H3,(H,21,23)
InChIKeyIXLPYSDBWHVBHX-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide (CID 7207718) is N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide is Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The InChIKey is IXLPYSDBWHVBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS/c1-13-17(11-12-21-18(23)14-5-3-2-4-6-14)24-19(22-13)15-7-9-16(20)10-8-15/h2-10H,11-12H2,1H3,(H,21,23).
What are the key properties of N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 7207718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).