N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

C12H16N2O2S — CID 110672368

IUPACN-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCc1ccccc1O)C1CSCN1
InChIInChI=1S/C12H16N2O2S/c15-11-4-2-1-3-9(11)5-6-13-12(16)10-7-17-8-14-10/h1-4,10,14-15H,5-8H2,(H,13,16)
InChIKeyNUGQXXLFRSNLIA-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.71
Rot. Bonds4

About N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide

N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 110672368) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID110672368
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
SMILESO=C(NCCc1ccccc1O)C1CSCN1
InChIInChI=1S/C12H16N2O2S/c15-11-4-2-1-3-9(11)5-6-13-12(16)10-7-17-8-14-10/h1-4,10,14-15H,5-8H2,(H,13,16)
InChIKeyNUGQXXLFRSNLIA-UHFFFAOYSA-N
XLogP0.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-naphthalen-1-ylethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288849
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[2-(4-fluoro-2-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119341073
N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide
CID 110667219
N-[2-(1-benzofuran-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119332483
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795136
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
N-[3-(benzylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 119310941
N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 136811645
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110741853
N-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795767

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide (CID 110672368) is N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is O=C(NCCc1ccccc1O)C1CSCN1.
What is the InChIKey of N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is NUGQXXLFRSNLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c15-11-4-2-1-3-9(11)5-6-13-12(16)10-7-17-8-14-10/h1-4,10,14-15H,5-8H2,(H,13,16).
What are the key properties of N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide?
N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110672368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).