5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one

C14H19ClN2OS — CID 19772118

IUPAC5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one
SMILESNc1ccc(CCCCC(=O)N2CCSC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2OS/c15-13-9-12(16)6-5-11(13)3-1-2-4-14(18)17-7-8-19-10-17/h5-6,9H,1-4,7-8,10,16H2
InChIKeyBUGTXCDQRRZUKR-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.17
Rot. Bonds5

About 5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one

5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one (PubChem CID 19772118) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one.

Molecular Properties

Compound Name5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one
PubChem CID19772118
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one
SMILESNc1ccc(CCCCC(=O)N2CCSC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2OS/c15-13-9-12(16)6-5-11(13)3-1-2-4-14(18)17-7-8-19-10-17/h5-6,9H,1-4,7-8,10,16H2
InChIKeyBUGTXCDQRRZUKR-UHFFFAOYSA-N
XLogP3.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)-1-thiomorpholin-4-ylbutan-1-one
CID 19772115
4-(4-bromophenyl)-1-(1,3-thiazolidin-3-yl)butan-1-one
CID 19772140
7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155511120
1-(1,3-thiazolidin-3-yl)heptan-1-one
CID 166888281
2-[4-[4-oxo-4-(1,3-thiazolidin-3-yl)butyl]phenyl]guanidine;hydrochloride
CID 19772109
3-chloro-4-hexylaniline
CID 139793989
4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83924216
1-[4-(4-amino-2-chlorophenyl)piperazin-1-yl]butan-1-one
CID 894959
3-chloro-4-(2-pyrrolidin-1-ylethyl)aniline
CID 68818430
3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 123982868
4-(2-chloro-4,5-dimethylphenyl)-1-piperazin-1-ylbutan-1-one
CID 83931484
5-amino-2-thiomorpholin-4-ylbenzoic acid
CID 12784668

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The IUPAC name of 5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one (CID 19772118) is 5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one.
What is the SMILES notation for 5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The canonical SMILES for 5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one is Nc1ccc(CCCCC(=O)N2CCSC2)c(Cl)c1.
What is the InChIKey of 5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one?
The InChIKey is BUGTXCDQRRZUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2OS/c15-13-9-12(16)6-5-11(13)3-1-2-4-14(18)17-7-8-19-10-17/h5-6,9H,1-4,7-8,10,16H2.
What are the key properties of 5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one?
5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one has a molecular weight of 298.84 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-chlorophenyl)-1-(1,3-thiazolidin-3-yl)pentan-1-one is sourced from PubChem (CID 19772118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).