N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C15H23ClN2O2S — CID 119301757

IUPACN-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1cccc(C)c1OCC(C)NC(=O)C1CSCN1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-10-5-4-6-11(2)14(10)19-7-12(3)17-15(18)13-8-20-9-16-13;/h4-6,12-13,16H,7-9H2,1-3H3,(H,17,18);1H
InChIKeyOZJRNWLEBBWPSE-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.27
Rot. Bonds5

About N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119301757) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119301757
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1cccc(C)c1OCC(C)NC(=O)C1CSCN1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-10-5-4-6-11(2)14(10)19-7-12(3)17-15(18)13-8-20-9-16-13;/h4-6,12-13,16H,7-9H2,1-3H3,(H,17,18);1H
InChIKeyOZJRNWLEBBWPSE-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,6-dimethylphenoxy)propan-2-yl]piperidine-2-carboxamide
CID 119301760
N-[2-(2,6-dimethylphenoxy)ethyl]-1,3-thiazolidine-4-carboxamide
CID 119295663
2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975441
N-(4-hydroxybutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 83177193
N-[4-(4-methoxyphenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288084
3-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119745976
N-(2,3-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119261895
2-(cyclopropylmethylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide;hydrochloride
CID 119745985
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978
N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119325433
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-(2-hydroxy-3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 79602563

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119301757) is N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride is Cc1cccc(C)c1OCC(C)NC(=O)C1CSCN1.Cl.
What is the InChIKey of N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is OZJRNWLEBBWPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c1-10-5-4-6-11(2)14(10)19-7-12(3)17-15(18)13-8-20-9-16-13;/h4-6,12-13,16H,7-9H2,1-3H3,(H,17,18);1H.
What are the key properties of N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylphenoxy)propan-2-yl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119301757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).