N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C20H24BrN3O2S — CID 30748319

IUPACN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCc1sc(NC(=O)C2CCN(C(=O)C(C)C)CC2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C20H24BrN3O2S/c1-12(2)19(26)24-10-8-15(9-11-24)18(25)23-20-22-17(13(3)27-20)14-4-6-16(21)7-5-14/h4-7,12,15H,8-11H2,1-3H3,(H,22,23,25)
InChIKeyHFNKYLWNURKFEJ-UHFFFAOYSA-N
MW450.40 g/mol
LogP4.71
Rot. Bonds4

About N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 30748319) has the molecular formula C20H24BrN3O2S and a molecular weight of 450.40 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID30748319
Molecular FormulaC20H24BrN3O2S
Molecular Weight450.40 g/mol
Exact Mass449.08
IUPAC NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCc1sc(NC(=O)C2CCN(C(=O)C(C)C)CC2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C20H24BrN3O2S/c1-12(2)19(26)24-10-8-15(9-11-24)18(25)23-20-22-17(13(3)27-20)14-4-6-16(21)7-5-14/h4-7,12,15H,8-11H2,1-3H3,(H,22,23,25)
InChIKeyHFNKYLWNURKFEJ-UHFFFAOYSA-N
XLogP4.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.40
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6464404
1-(4-chlorobenzoyl)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291713
2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 87665805
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31775960
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26291728
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 60563304
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119266983
1-(furan-2-carbonyl)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46662231
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31824270
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 17442649
N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31693337
2,2,2-trifluoroethyl 4-[[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 16581765

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 30748319) is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is Cc1sc(NC(=O)C2CCN(C(=O)C(C)C)CC2)nc1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is HFNKYLWNURKFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2S/c1-12(2)19(26)24-10-8-15(9-11-24)18(25)23-20-22-17(13(3)27-20)14-4-6-16(21)7-5-14/h4-7,12,15H,8-11H2,1-3H3,(H,22,23,25).
What are the key properties of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 450.40 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 30748319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).