2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide

C19H16N2O4S — CID 99702126

IUPAC2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide
SMILESCN(OCc1ccccc1)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C19H16N2O4S/c1-21(25-10-13-5-3-2-4-6-13)19(22)15-11-26-18(20-15)14-7-8-16-17(9-14)24-12-23-16/h2-9,11H,10,12H2,1H3
InChIKeyNVSVJILYLYBJJJ-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.74
Rot. Bonds5

About 2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide

2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide (PubChem CID 99702126) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide
PubChem CID99702126
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide
SMILESCN(OCc1ccccc1)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C19H16N2O4S/c1-21(25-10-13-5-3-2-4-6-13)19(22)15-11-26-18(20-15)14-7-8-16-17(9-14)24-12-23-16/h2-9,11H,10,12H2,1H3
InChIKeyNVSVJILYLYBJJJ-UHFFFAOYSA-N
XLogP3.74
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carbonyl]-methylamino]propanoic acid
CID 119362392
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 99873747
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]acetic acid
CID 43327447
2-(1,3-benzodioxol-5-yl)-4-methoxy-1,3-thiazole
CID 116891760
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 27775958
1,3-benzodioxol-5-yl 2-(4-fluorophenyl)-1,3-thiazole-4-carboxylate
CID 9044131
N-(1,3-benzodioxol-5-ylmethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 8869276
2-[cyclopropyl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 122067342
N-[3-(aminomethyl)pentan-3-yl]-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide
CID 119570302
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-ethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066488
(2R)-3-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-2-cyano-N-methyl-3-oxopropanamide
CID 98130250
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(methylamino)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119501589

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide (CID 99702126) is 2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide is CN(OCc1ccccc1)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide?
The InChIKey is NVSVJILYLYBJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-21(25-10-13-5-3-2-4-6-13)19(22)15-11-26-18(20-15)14-7-8-16-17(9-14)24-12-23-16/h2-9,11H,10,12H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide?
2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylmethoxy-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99702126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).