N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

C15H23ClN2O2S — CID 119288940

IUPACN-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1ccc(OCCCCNC(=O)C2CSCN2)cc1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-12-4-6-13(7-5-12)19-9-3-2-8-16-15(18)14-10-20-11-17-14;/h4-7,14,17H,2-3,8-11H2,1H3,(H,16,18);1H
InChIKeyCCMRPZBBEVRNIU-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.35
Rot. Bonds7

About N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride

N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119288940) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119288940
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC NameN-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCc1ccc(OCCCCNC(=O)C2CSCN2)cc1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-12-4-6-13(7-5-12)19-9-3-2-8-16-15(18)14-10-20-11-17-14;/h4-7,14,17H,2-3,8-11H2,1H3,(H,16,18);1H
InChIKeyCCMRPZBBEVRNIU-UHFFFAOYSA-N
XLogP2.35
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.35
H-Bond Donors ≤ 52
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-(4-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119308262
N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 110793789
N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119266831
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119317658
N-[[2-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119320233
(2R,4S)-4-hydroxy-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 125134711
N-[4-(2-methoxyethoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43713460
N-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxamide
CID 119266821
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119339535
N-(4-aminobutyl)-1,3-thiazolidine-4-carboxamide
CID 61276051
N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119316856

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119288940) is N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is Cc1ccc(OCCCCNC(=O)C2CSCN2)cc1.Cl.
What is the InChIKey of N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is CCMRPZBBEVRNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c1-12-4-6-13(7-5-12)19-9-3-2-8-16-15(18)14-10-20-11-17-14;/h4-7,14,17H,2-3,8-11H2,1H3,(H,16,18);1H.
What are the key properties of N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119288940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).