N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C14H17BrN2O2S — CID 51709582

IUPACN-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC[C@@H](NC(=O)CN1CSCC1=O)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O2S/c1-2-12(10-3-5-11(15)6-4-10)16-13(18)7-17-9-20-8-14(17)19/h3-6,12H,2,7-9H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyIPUXYDFWKMXASG-GFCCVEGCSA-N
MW357.27 g/mol
LogP2.55
Rot. Bonds5

About N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 51709582) has the molecular formula C14H17BrN2O2S and a molecular weight of 357.27 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID51709582
Molecular FormulaC14H17BrN2O2S
Molecular Weight357.27 g/mol
Exact Mass356.02
IUPAC NameN-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESCC[C@@H](NC(=O)CN1CSCC1=O)c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O2S/c1-2-12(10-3-5-11(15)6-4-10)16-13(18)7-17-9-20-8-14(17)19/h3-6,12H,2,7-9H2,1H3,(H,16,18)/t12-/m1/s1
InChIKeyIPUXYDFWKMXASG-GFCCVEGCSA-N
XLogP2.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 119197859
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]butanoic acid
CID 43469224
N-[(1S)-1-(4-bromophenyl)propyl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 51926082
1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 9443034
N-[(1S)-1-(4-bromophenyl)propyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30736722
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
diethyl 2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanedioate
CID 33247441
2-(4-oxo-1,3-thiazolidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 26288888
N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 120567800
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
CID 60867633
N-[1-(4-bromophenyl)propyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 17458434
N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
CID 112723289

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 51709582) is N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is CC[C@@H](NC(=O)CN1CSCC1=O)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is IPUXYDFWKMXASG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17BrN2O2S/c1-2-12(10-3-5-11(15)6-4-10)16-13(18)7-17-9-20-8-14(17)19/h3-6,12H,2,7-9H2,1H3,(H,16,18)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 357.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)propyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 51709582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).