N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide

C20H18N2O4S — CID 46066488

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1cccc(-c2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)c1
InChIInChI=1S/C20H18N2O4S/c1-2-24-15-5-3-4-14(9-15)20-22-16(11-27-20)19(23)21-10-13-6-7-17-18(8-13)26-12-25-17/h3-9,11H,2,10,12H2,1H3,(H,21,23)
InChIKeyDXBDWECRECDJJC-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.87
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 46066488) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID46066488
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCCOc1cccc(-c2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)c1
InChIInChI=1S/C20H18N2O4S/c1-2-24-15-5-3-4-14(9-15)20-22-16(11-27-20)19(23)21-10-13-6-7-17-18(8-13)26-12-25-17/h3-9,11H,2,10,12H2,1H3,(H,21,23)
InChIKeyDXBDWECRECDJJC-UHFFFAOYSA-N
XLogP3.87
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42865772
N-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 8869276
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065946
N-(1,3-benzodioxol-5-ylmethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72911057
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-4-carboxamide
CID 46066297
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866355
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 46003447
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 17442017
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487
2-[3-(2-methylpropoxy)phenyl]-N-[(3-phenoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 42866994
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555699
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 27775958

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide (CID 46066488) is N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide is CCOc1cccc(-c2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DXBDWECRECDJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-2-24-15-5-3-4-14(9-15)20-22-16(11-27-20)19(23)21-10-13-6-7-17-18(8-13)26-12-25-17/h3-9,11H,2,10,12H2,1H3,(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).