2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide

C20H18BrClN2O2S — CID 166356084

IUPAC2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(CO)(Cc1ccc(Cl)cc1)NC(=O)c1cnc(-c2ccccc2Br)s1
InChIInChI=1S/C20H18BrClN2O2S/c1-20(12-25,10-13-6-8-14(22)9-7-13)24-18(26)17-11-23-19(27-17)15-4-2-3-5-16(15)21/h2-9,11,25H,10,12H2,1H3,(H,24,26)
InChIKeyHNNVDHHRHBBRJD-UHFFFAOYSA-N
MW465.80 g/mol
LogP4.95
Rot. Bonds6

About 2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide

2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 166356084) has the molecular formula C20H18BrClN2O2S and a molecular weight of 465.80 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID166356084
Molecular FormulaC20H18BrClN2O2S
Molecular Weight465.80 g/mol
Exact Mass464.00
IUPAC Name2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(CO)(Cc1ccc(Cl)cc1)NC(=O)c1cnc(-c2ccccc2Br)s1
InChIInChI=1S/C20H18BrClN2O2S/c1-20(12-25,10-13-6-8-14(22)9-7-13)24-18(26)17-11-23-19(27-17)15-4-2-3-5-16(15)21/h2-9,11,25H,10,12H2,1H3,(H,24,26)
InChIKeyHNNVDHHRHBBRJD-UHFFFAOYSA-N
XLogP4.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.80
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide (CID 166356084) is 2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide is CC(CO)(Cc1ccc(Cl)cc1)NC(=O)c1cnc(-c2ccccc2Br)s1.
What is the InChIKey of 2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is HNNVDHHRHBBRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrClN2O2S/c1-20(12-25,10-13-6-8-14(22)9-7-13)24-18(26)17-11-23-19(27-17)15-4-2-3-5-16(15)21/h2-9,11,25H,10,12H2,1H3,(H,24,26).
What are the key properties of 2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide?
2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 465.80 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[1-(4-chlorophenyl)-3-hydroxy-2-methylpropan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166356084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).