N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

C14H20N2OS — CID 110793540

IUPACN-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCCCc1ccc(CNC(=O)C2CSCN2)cc1
InChIInChI=1S/C14H20N2OS/c1-2-3-11-4-6-12(7-5-11)8-15-14(17)13-9-18-10-16-13/h4-7,13,16H,2-3,8-10H2,1H3,(H,15,17)
InChIKeyXQFDIBOFNHYKQU-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.92
Rot. Bonds5

About N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide

N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110793540) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110793540
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCCCc1ccc(CNC(=O)C2CSCN2)cc1
InChIInChI=1S/C14H20N2OS/c1-2-3-11-4-6-12(7-5-11)8-15-14(17)13-9-18-10-16-13/h4-7,13,16H,2-3,8-10H2,1H3,(H,15,17)
InChIKeyXQFDIBOFNHYKQU-UHFFFAOYSA-N
XLogP1.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794499
ethyl 4-[(1,3-thiazolidine-4-carbonylamino)methyl]benzoate;hydrochloride
CID 119302039
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 110793789
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119876122
N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119287347
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119317658
N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 119310941
N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119845510
N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119265285
N-[(6-methylpyridazin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110746243

Frequently Asked Questions

What is the IUPAC name of N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 110793540) is N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is CCCc1ccc(CNC(=O)C2CSCN2)cc1.
What is the InChIKey of N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is XQFDIBOFNHYKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-2-3-11-4-6-12(7-5-11)8-15-14(17)13-9-18-10-16-13/h4-7,13,16H,2-3,8-10H2,1H3,(H,15,17).
What are the key properties of N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 264.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110793540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).