3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide

C20H19FN2O2S — CID 59432538

IUPAC3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)CO)cc(-c3nccs3)c2)c(F)c1
InChIInChI=1S/C20H19FN2O2S/c1-12-3-4-17(18(21)7-12)14-8-15(19(25)23-13(2)11-24)10-16(9-14)20-22-5-6-26-20/h3-10,13,24H,11H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyYBSRMOKDLSFADM-CYBMUJFWSA-N
MW370.45 g/mol
LogP4.04
Rot. Bonds5

About 3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide

3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide (PubChem CID 59432538) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide
PubChem CID59432538
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide
SMILESCc1ccc(-c2cc(C(=O)N[C@H](C)CO)cc(-c3nccs3)c2)c(F)c1
InChIInChI=1S/C20H19FN2O2S/c1-12-3-4-17(18(21)7-12)14-8-15(19(25)23-13(2)11-24)10-16(9-14)20-22-5-6-26-20/h3-10,13,24H,11H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyYBSRMOKDLSFADM-CYBMUJFWSA-N
XLogP4.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide (CID 59432538) is 3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide is Cc1ccc(-c2cc(C(=O)N[C@H](C)CO)cc(-c3nccs3)c2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide?
The InChIKey is YBSRMOKDLSFADM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-12-3-4-17(18(21)7-12)14-8-15(19(25)23-13(2)11-24)10-16(9-14)20-22-5-6-26-20/h3-10,13,24H,11H2,1-2H3,(H,23,25)/t13-/m1/s1.
What are the key properties of 3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide?
3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide has a molecular weight of 370.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]-5-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 59432538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).