N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide

C19H17BrN2O2S — CID 71913322

IUPACN-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cnc(-c2ccccc2)s1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C19H17BrN2O2S/c1-12(17(23)13-7-9-15(20)10-8-13)22-18(24)16-11-21-19(25-16)14-5-3-2-4-6-14/h2-12,17,23H,1H3,(H,22,24)
InChIKeyRRYOTKBBFYWBRY-UHFFFAOYSA-N
MW417.33 g/mol
LogP4.42
Rot. Bonds5

About N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 71913322) has the molecular formula C19H17BrN2O2S and a molecular weight of 417.33 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID71913322
Molecular FormulaC19H17BrN2O2S
Molecular Weight417.33 g/mol
Exact Mass416.02
IUPAC NameN-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1cnc(-c2ccccc2)s1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C19H17BrN2O2S/c1-12(17(23)13-7-9-15(20)10-8-13)22-18(24)16-11-21-19(25-16)14-5-3-2-4-6-14/h2-12,17,23H,1H3,(H,22,24)
InChIKeyRRYOTKBBFYWBRY-UHFFFAOYSA-N
XLogP4.42
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.33
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 71913322) is N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide is CC(NC(=O)c1cnc(-c2ccccc2)s1)C(O)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is RRYOTKBBFYWBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2S/c1-12(17(23)13-7-9-15(20)10-8-13)22-18(24)16-11-21-19(25-16)14-5-3-2-4-6-14/h2-12,17,23H,1H3,(H,22,24).
What are the key properties of N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 417.33 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-1-hydroxypropan-2-yl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71913322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).