N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide

C17H26N2O2S — CID 119339535

IUPACN-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCCCCCOc1cc(C)ccc1CNC(=O)C1CSCN1
InChIInChI=1S/C17H26N2O2S/c1-3-4-5-8-21-16-9-13(2)6-7-14(16)10-18-17(20)15-11-22-12-19-15/h6-7,9,15,19H,3-5,8,10-12H2,1-2H3,(H,18,20)
InChIKeyGEUBRGRLEOTQSJ-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.84
Rot. Bonds8

About N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide

N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 119339535) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID119339535
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCCCCCOc1cc(C)ccc1CNC(=O)C1CSCN1
InChIInChI=1S/C17H26N2O2S/c1-3-4-5-8-21-16-9-13(2)6-7-14(16)10-18-17(20)15-11-22-12-19-15/h6-7,9,15,19H,3-5,8,10-12H2,1-2H3,(H,18,20)
InChIKeyGEUBRGRLEOTQSJ-UHFFFAOYSA-N
XLogP2.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.84
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

(4R)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 124595922
(4R)-N-[(2-ethylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 141124535
N-[(2-ethoxy-4-methylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119811235
N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119811545
N-[[2-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119320233
N-[[2-(2-propoxyphenoxy)-3-pyridinyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 119852337
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide
CID 119811606
N-[4-(4-methylphenoxy)butyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119288940
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110794315
N-[(5-chloro-4-methoxy-2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 110793934
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795136

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide (CID 119339535) is N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide is CCCCCOc1cc(C)ccc1CNC(=O)C1CSCN1.
What is the InChIKey of N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is GEUBRGRLEOTQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-3-4-5-8-21-16-9-13(2)6-7-14(16)10-18-17(20)15-11-22-12-19-15/h6-7,9,15,19H,3-5,8,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide?
N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 119339535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).