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

C14H21ClN2O2S — CID 119316856

IUPACN-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(CCCNC(=O)C2CSCN2)c1.Cl
InChIInChI=1S/C14H20N2O2S.ClH/c1-18-12-6-2-4-11(8-12)5-3-7-15-14(17)13-9-19-10-16-13;/h2,4,6,8,13,16H,3,5,7,9-10H2,1H3,(H,15,17);1H
InChIKeyIEPKVHXGMTUHBN-UHFFFAOYSA-N
MW316.85 g/mol
LogP1.83
Rot. Bonds6

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

N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119316856) has the molecular formula C14H21ClN2O2S and a molecular weight of 316.85 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119316856
Molecular FormulaC14H21ClN2O2S
Molecular Weight316.85 g/mol
Exact Mass316.10
IUPAC NameN-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCOc1cccc(CCCNC(=O)C2CSCN2)c1.Cl
InChIInChI=1S/C14H20N2O2S.ClH/c1-18-12-6-2-4-11(8-12)5-3-7-15-14(17)13-9-19-10-16-13;/h2,4,6,8,13,16H,3,5,7,9-10H2,1H3,(H,15,17);1H
InChIKeyIEPKVHXGMTUHBN-UHFFFAOYSA-N
XLogP1.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.85
LogP ≤ 51.83
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-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119265285
N-[3-(3-hydroxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide
CID 110667219
N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316858
N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938649
N-[2-(4-methoxy-3-propan-2-ylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795275
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
1-amino-N-[3-(3-methoxyphenyl)propyl]cyclopropane-1-carboxamide
CID 119772031
N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795242
2-N-butyl-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109131252
N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288940
N-[3-(1-methylpyrazol-4-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 119316160
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide
CID 135114422

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119316856) is N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is COc1cccc(CCCNC(=O)C2CSCN2)c1.Cl.
What is the InChIKey of N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is IEPKVHXGMTUHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S.ClH/c1-18-12-6-2-4-11(8-12)5-3-7-15-14(17)13-9-19-10-16-13;/h2,4,6,8,13,16H,3,5,7,9-10H2,1H3,(H,15,17);1H.
What are the key properties of N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 316.85 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119316856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).