N-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide

C19H17FN2OS2 — CID 26522791

IUPACN-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)c(F)c1
InChIInChI=1S/C19H17FN2OS2/c1-12-3-8-17(16(20)9-12)22-18(23)15-6-4-14(5-7-15)11-25-19-21-13(2)10-24-19/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyFTTJLSOWGBUKQI-UHFFFAOYSA-N
MW372.49 g/mol
LogP5.44
Rot. Bonds5

About N-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide

N-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 26522791) has the molecular formula C19H17FN2OS2 and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
PubChem CID26522791
Molecular FormulaC19H17FN2OS2
Molecular Weight372.49 g/mol
Exact Mass372.08
IUPAC NameN-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
SMILESCc1ccc(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)c(F)c1
InChIInChI=1S/C19H17FN2OS2/c1-12-3-8-17(16(20)9-12)22-18(23)15-6-4-14(5-7-15)11-25-19-21-13(2)10-24-19/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyFTTJLSOWGBUKQI-UHFFFAOYSA-N
XLogP5.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide (CID 26522791) is N-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is Cc1ccc(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is FTTJLSOWGBUKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2OS2/c1-12-3-8-17(16(20)9-12)22-18(23)15-6-4-14(5-7-15)11-25-19-21-13(2)10-24-19/h3-10H,11H2,1-2H3,(H,22,23).
What are the key properties of N-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide?
N-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 372.49 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 26522791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).