2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide

C19H23BrN2OS — CID 56517769

IUPAC2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cc1csc(-c2cccc(Br)c2)n1)C1CCCC1
InChIInChI=1S/C19H23BrN2OS/c1-13(2)22(17-8-3-4-9-17)18(23)11-16-12-24-19(21-16)14-6-5-7-15(20)10-14/h5-7,10,12-13,17H,3-4,8-9,11H2,1-2H3
InChIKeyQCEIUHFKVCGODX-UHFFFAOYSA-N
MW407.38 g/mol
LogP5.29
Rot. Bonds5

About 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide

2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide (PubChem CID 56517769) has the molecular formula C19H23BrN2OS and a molecular weight of 407.38 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide
PubChem CID56517769
Molecular FormulaC19H23BrN2OS
Molecular Weight407.38 g/mol
Exact Mass406.07
IUPAC Name2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)Cc1csc(-c2cccc(Br)c2)n1)C1CCCC1
InChIInChI=1S/C19H23BrN2OS/c1-13(2)22(17-8-3-4-9-17)18(23)11-16-12-24-19(21-16)14-6-5-7-15(20)10-14/h5-7,10,12-13,17H,3-4,8-9,11H2,1-2H3
InChIKeyQCEIUHFKVCGODX-UHFFFAOYSA-N
XLogP5.29
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.38
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]-propan-2-ylamino]acetate
CID 78885091
2-[cyclopropyl-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 122067262
methyl 2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 56580499
N-(3-amino-2,2-dimethylpropyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 119656281
(2R)-5-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-4-oxo-2-propan-2-ylpentanoic acid
CID 161429755
1-[4-[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]-2-cyclopentylethanone
CID 55567637
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(4-methylcyclohexyl)acetamide
CID 55363994
[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8913410
1-(azocan-1-yl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]ethanone
CID 55374619
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119563341
N-[2-(aminomethyl)cyclopentyl]-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119604473
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86920323

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide (CID 56517769) is 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide is CC(C)N(C(=O)Cc1csc(-c2cccc(Br)c2)n1)C1CCCC1.
What is the InChIKey of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide?
The InChIKey is QCEIUHFKVCGODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2OS/c1-13(2)22(17-8-3-4-9-17)18(23)11-16-12-24-19(21-16)14-6-5-7-15(20)10-14/h5-7,10,12-13,17H,3-4,8-9,11H2,1-2H3.
What are the key properties of 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide?
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide has a molecular weight of 407.38 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-cyclopentyl-N-propan-2-ylacetamide is sourced from PubChem (CID 56517769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).