N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide

C15H22N2O2S — CID 110792568

IUPACN-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CSCN2)cc1C(C)(C)C
InChIInChI=1S/C15H22N2O2S/c1-15(2,3)11-7-10(5-6-13(11)19-4)17-14(18)12-8-20-9-16-12/h5-7,12,16H,8-9H2,1-4H3,(H,17,18)
InChIKeyHNQACOCUTFIBRU-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.59
Rot. Bonds3

About N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide

N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 110792568) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
PubChem CID110792568
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CSCN2)cc1C(C)(C)C
InChIInChI=1S/C15H22N2O2S/c1-15(2,3)11-7-10(5-6-13(11)19-4)17-14(18)12-8-20-9-16-12/h5-7,12,16H,8-9H2,1-4H3,(H,17,18)
InChIKeyHNQACOCUTFIBRU-UHFFFAOYSA-N
XLogP2.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795242
N-(4-tert-butylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24691196
N-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003209
N-(3,4-dimethylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 50988129
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110795893
N-[4-[(2-methoxyacetyl)amino]phenyl]-1,3-thiazolidine-4-carboxamide
CID 43708166
N-(4-carbamoyl-3-methylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119318629
N-(3-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 24689839
N-(3,4-difluorophenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119263074
N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119042537
N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-1,3-thiazolidine-4-carboxamide
CID 119332384
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119269605

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide (CID 110792568) is N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide is COc1ccc(NC(=O)C2CSCN2)cc1C(C)(C)C.
What is the InChIKey of N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is HNQACOCUTFIBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-15(2,3)11-7-10(5-6-13(11)19-4)17-14(18)12-8-20-9-16-12/h5-7,12,16H,8-9H2,1-4H3,(H,17,18).
What are the key properties of N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide?
N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 110792568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).