N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide

C18H13ClN2O4S — CID 46535966

IUPACN-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H13ClN2O4S/c19-11-1-4-13(5-2-11)23-8-17-21-14(9-26-17)18(22)20-12-3-6-15-16(7-12)25-10-24-15/h1-7,9H,8,10H2,(H,20,22)
InChIKeyVCWXNSQATLFGDY-UHFFFAOYSA-N
MW388.83 g/mol
LogP4.36
Rot. Bonds5

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

N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 46535966) has the molecular formula C18H13ClN2O4S and a molecular weight of 388.83 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID46535966
Molecular FormulaC18H13ClN2O4S
Molecular Weight388.83 g/mol
Exact Mass388.03
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1csc(COc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H13ClN2O4S/c19-11-1-4-13(5-2-11)23-8-17-21-14(9-26-17)18(22)20-12-3-6-15-16(7-12)25-10-24-15/h1-7,9H,8,10H2,(H,20,22)
InChIKeyVCWXNSQATLFGDY-UHFFFAOYSA-N
XLogP4.36
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzodioxole-5-carbonylamino)ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 42879958
2-amino-N-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxamide
CID 62787318
2-(1,3-benzodioxol-5-yloxymethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42835481
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetamide
CID 34809182
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxylate
CID 26986173
2-[(4-chlorophenoxy)methyl]-N-[3-(cyclopropylsulfamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55532428
2-[(4-chlorophenoxy)methyl]-N-[(1R,2S)-2-[(3,4-difluorophenyl)carbamoylamino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 93014820
methyl 2-[[3-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 55727980
2-N-(1,3-benzodioxol-5-yl)-4-N-(4-chlorophenyl)pyridine-2,4-dicarboxamide
CID 109092867
1-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 2744804
N-(1,3-benzodioxol-5-yl)-2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 46741155
N-[(1S,2R)-2-[(3-chloro-4-fluorophenyl)carbamoylamino]cyclohexyl]-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 98303138

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 46535966) is N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1csc(COc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VCWXNSQATLFGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O4S/c19-11-1-4-13(5-2-11)23-8-17-21-14(9-26-17)18(22)20-12-3-6-15-16(7-12)25-10-24-15/h1-7,9H,8,10H2,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 388.83 g/mol, XLogP of 4.36, 5 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-yl)-2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46535966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).