N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C12H17ClN2O2S — CID 119265285

IUPACN-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(CNC(=O)C2CSCN2)c1.Cl
InChIInChI=1S/C12H16N2O2S.ClH/c1-16-10-4-2-3-9(5-10)6-13-12(15)11-7-17-8-14-11;/h2-5,11,14H,6-8H2,1H3,(H,13,15);1H
InChIKeyQUFMYYVJZGIFKT-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.40
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119265285) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119265285
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC NameN-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(CNC(=O)C2CSCN2)c1.Cl
InChIInChI=1S/C12H16N2O2S.ClH/c1-16-10-4-2-3-9(5-10)6-13-12(15)11-7-17-8-14-11;/h2-5,11,14H,6-8H2,1H3,(H,13,15);1H
InChIKeyQUFMYYVJZGIFKT-UHFFFAOYSA-N
XLogP1.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119316856
(2S)-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50944119
N-benzyl-1,3-thiazolidine-4-carboxamide
CID 24693076
N-[[3-(propylcarbamoyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119287347
N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119281335
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 110793789
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119334399
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119312829
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 119287192
N-[(4-propylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793540
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119328583

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119265285) is N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is COc1cccc(CNC(=O)C2CSCN2)c1.Cl.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is QUFMYYVJZGIFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S.ClH/c1-16-10-4-2-3-9(5-10)6-13-12(15)11-7-17-8-14-11;/h2-5,11,14H,6-8H2,1H3,(H,13,15);1H.
What are the key properties of N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 288.80 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119265285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).