N-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide

C13H17ClN2O2S — CID 54862385

IUPACN-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)C1CSCN1
InChIInChI=1S/C13H17ClN2O2S/c1-2-5-18-12-4-3-9(14)6-10(12)16-13(17)11-7-19-8-15-11/h3-4,6,11,15H,2,5,7-8H2,1H3,(H,16,17)
InChIKeyQCKVXEZADPLFBM-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.73
Rot. Bonds5

About N-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide

N-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 54862385) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is N-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID54862385
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC NameN-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCCCOc1ccc(Cl)cc1NC(=O)C1CSCN1
InChIInChI=1S/C13H17ClN2O2S/c1-2-5-18-12-4-3-9(14)6-10(12)16-13(17)11-7-19-8-15-11/h3-4,6,11,15H,2,5,7-8H2,1H3,(H,16,17)
InChIKeyQCKVXEZADPLFBM-UHFFFAOYSA-N
XLogP2.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 43702291
N-(5-chloro-2-ethoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54862651
N-(5-chloro-2-propoxyphenyl)morpholine-2-carboxamide;hydrochloride
CID 119725674
2-bromo-N-(5-chloro-2-propoxyphenyl)butanamide
CID 62854326
N-(2-propylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43703955
N-(5-chloro-2-propoxyphenyl)-2-methoxyacetamide
CID 61062461
3-amino-N-(5-chloro-2-propoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119725658
N-(2-chloro-4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 43122672
N-(5-chloro-2-propoxyphenyl)-3-methylbut-2-enamide
CID 47310185
4-amino-N-(5-chloro-2-propoxyphenyl)butanamide
CID 54862408
methyl 4-chloro-2-(thiomorpholine-3-carbonylamino)benzoate
CID 82906504
6-(5-chloro-2-propoxyanilino)-6-oxohexanoic acid
CID 60934091

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide (CID 54862385) is N-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide is CCCOc1ccc(Cl)cc1NC(=O)C1CSCN1.
What is the InChIKey of N-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is QCKVXEZADPLFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-2-5-18-12-4-3-9(14)6-10(12)16-13(17)11-7-19-8-15-11/h3-4,6,11,15H,2,5,7-8H2,1H3,(H,16,17).
What are the key properties of N-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide?
N-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 300.81 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-propoxyphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 54862385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).