N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide

C23H24N2O4S — CID 46009353

IUPACN-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide
SMILESCCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H24N2O4S/c1-3-10-25(23(26)17-6-9-20-21(11-17)29-15-28-20)12-18-14-30-22(24-18)13-27-19-7-4-16(2)5-8-19/h4-9,11,14H,3,10,12-13,15H2,1-2H3
InChIKeyBXZWSYGJTYSMPC-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.81
Rot. Bonds8

About N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide

N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide (PubChem CID 46009353) has the molecular formula C23H24N2O4S and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide
PubChem CID46009353
Molecular FormulaC23H24N2O4S
Molecular Weight424.52 g/mol
Exact Mass424.15
IUPAC NameN-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide
SMILESCCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H24N2O4S/c1-3-10-25(23(26)17-6-9-20-21(11-17)29-15-28-20)12-18-14-30-22(24-18)13-27-19-7-4-16(2)5-8-19/h4-9,11,14H,3,10,12-13,15H2,1-2H3
InChIKeyBXZWSYGJTYSMPC-UHFFFAOYSA-N
XLogP4.81
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide (CID 46009353) is N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide is CCCN(Cc1csc(COc2ccc(C)cc2)n1)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is BXZWSYGJTYSMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S/c1-3-10-25(23(26)17-6-9-20-21(11-17)29-15-28-20)12-18-14-30-22(24-18)13-27-19-7-4-16(2)5-8-19/h4-9,11,14H,3,10,12-13,15H2,1-2H3.
What are the key properties of N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide?
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 424.52 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 46009353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).