N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide

C13H17N3O2S — CID 61250253

IUPACN-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)C2CSCN2)c1
InChIInChI=1S/C13H17N3O2S/c1-2-12(17)15-9-4-3-5-10(6-9)16-13(18)11-7-19-8-14-11/h3-6,11,14H,2,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyBXEXZJNWDIEQHF-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.64
Rot. Bonds4

About N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide

N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 61250253) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
PubChem CID61250253
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)Nc1cccc(NC(=O)C2CSCN2)c1
InChIInChI=1S/C13H17N3O2S/c1-2-12(17)15-9-4-3-5-10(6-9)16-13(18)11-7-19-8-14-11/h3-6,11,14H,2,7-8H2,1H3,(H,15,17)(H,16,18)
InChIKeyBXEXZJNWDIEQHF-UHFFFAOYSA-N
XLogP1.64
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(ethylcarbamoylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119307462
N-(3-ethylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24703459
N-[3-(propylsulfonylamino)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119329973
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-[3-(2-methylpropanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281758
N-(3-methylsulfonylphenyl)-1,3-thiazolidine-4-carboxamide
CID 54862152
N-[3-(methylcarbamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 61258442
N-[3-[(dimethylamino)methyl]phenyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119853195
3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid
CID 115339862
N-[3-(tert-butylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119270867
N-[3-(propan-2-yloxymethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119306269
N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262127

Frequently Asked Questions

What is the IUPAC name of N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide (CID 61250253) is N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide is CCC(=O)Nc1cccc(NC(=O)C2CSCN2)c1.
What is the InChIKey of N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is BXEXZJNWDIEQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-12(17)15-9-4-3-5-10(6-9)16-13(18)11-7-19-8-14-11/h3-6,11,14H,2,7-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide?
N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propanoylamino)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 61250253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).