2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one

C14H21BrN2OS2 — CID 5150955

IUPAC2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)CSC1c1sccc1Br
InChIInChI=1S/C14H21BrN2OS2/c1-3-16(4-2)7-5-8-17-12(18)10-20-14(17)13-11(15)6-9-19-13/h6,9,14H,3-5,7-8,10H2,1-2H3
InChIKeyLYXSGHQBMDXBNC-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.82
Rot. Bonds7

About 2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one

2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one (PubChem CID 5150955) has the molecular formula C14H21BrN2OS2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one
PubChem CID5150955
Molecular FormulaC14H21BrN2OS2
Molecular Weight377.37 g/mol
Exact Mass376.03
IUPAC Name2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)CSC1c1sccc1Br
InChIInChI=1S/C14H21BrN2OS2/c1-3-16(4-2)7-5-8-17-12(18)10-20-14(17)13-11(15)6-9-19-13/h6,9,14H,3-5,7-8,10H2,1-2H3
InChIKeyLYXSGHQBMDXBNC-UHFFFAOYSA-N
XLogP3.82
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(diethylamino)propyl]-2-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3871093
N-[3-[3-[2-(3-bromothiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
CID 3560653
3-[3-(diethylamino)propyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one
CID 23794155
3-[2-(diethylamino)ethyl]-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
CID 23822864
3-(2-ethoxyethyl)-2-(3-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 3870243
3-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoic acid
CID 42814605
(2S)-3-[3-[(2S)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]propyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 10093008
2-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one;hydrochloride
CID 2861654
(2R)-3-[3-(dimethylamino)propyl]-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 876033
(2R)-2-(4-chlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 749265
3-[3-(dimethylamino)propyl]-2-(4-methylphenyl)-1,3-thiazolidin-4-one;hydrochloride
CID 5341962
3-[2-(diethylamino)ethyl]-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 23854988

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one (CID 5150955) is 2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one is CCN(CC)CCCN1C(=O)CSC1c1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one?
The InChIKey is LYXSGHQBMDXBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS2/c1-3-16(4-2)7-5-8-17-12(18)10-20-14(17)13-11(15)6-9-19-13/h6,9,14H,3-5,7-8,10H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one?
2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one has a molecular weight of 377.37 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-3-[3-(diethylamino)propyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 5150955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).