N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide

C16H24N2OS — CID 60938155

IUPACN-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CSCN1
InChIInChI=1S/C16H24N2OS/c1-16(2,3)13-7-5-12(6-8-13)9-18(4)15(19)14-10-20-11-17-14/h5-8,14,17H,9-11H2,1-4H3
InChIKeyXLVGTXPQAOVWFJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.61
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide

N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide (PubChem CID 60938155) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
PubChem CID60938155
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CSCN1
InChIInChI=1S/C16H24N2OS/c1-16(2,3)13-7-5-12(6-8-13)9-18(4)15(19)14-10-20-11-17-14/h5-8,14,17H,9-11H2,1-4H3
InChIKeyXLVGTXPQAOVWFJ-UHFFFAOYSA-N
XLogP2.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide (CID 60938155) is N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CSCN1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is XLVGTXPQAOVWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-16(2,3)13-7-5-12(6-8-13)9-18(4)15(19)14-10-20-11-17-14/h5-8,14,17H,9-11H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide?
N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 60938155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).