N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide

C13H18N2O2S — CID 110667219

IUPACN-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCCc1cccc(O)c1)C1CSCN1
InChIInChI=1S/C13H18N2O2S/c16-11-5-1-3-10(7-11)4-2-6-14-13(17)12-8-18-9-15-12/h1,3,5,7,12,15-16H,2,4,6,8-9H2,(H,14,17)
InChIKeyZMEKECUPJRGXPH-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.10
Rot. Bonds5

About N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide

N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110667219) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110667219
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCCc1cccc(O)c1)C1CSCN1
InChIInChI=1S/C13H18N2O2S/c16-11-5-1-3-10(7-11)4-2-6-14-13(17)12-8-18-9-15-12/h1,3,5,7,12,15-16H,2,4,6,8-9H2,(H,14,17)
InChIKeyZMEKECUPJRGXPH-UHFFFAOYSA-N
XLogP1.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119316856
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110672368
N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 119316160
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 119310941
N-[2-(3-fluorophenyl)ethyl]thiomorpholine-3-carboxamide
CID 82906717
N-(2-naphthalen-1-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288849
3-[3-(1,3-thiazolidine-4-carbonylamino)phenyl]propanoic acid
CID 115339862
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
CID 61276051
N-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119332483
methyl N-[3-(3-hydroxyphenyl)propyl]carbamate
CID 110667269
N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119265285

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide (CID 110667219) is N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide is O=C(NCCCc1cccc(O)c1)C1CSCN1.
What is the InChIKey of N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is ZMEKECUPJRGXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-11-5-1-3-10(7-11)4-2-6-14-13(17)12-8-18-9-15-12/h1,3,5,7,12,15-16H,2,4,6,8-9H2,(H,14,17).
What are the key properties of N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide?
N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110667219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).