N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide

C18H14N2O3S — CID 110372177

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2nccs2)c1
InChIInChI=1S/C18H14N2O3S/c21-17(12-2-1-3-13(10-12)18-19-6-9-24-18)20-14-4-5-15-16(11-14)23-8-7-22-15/h1-6,9-11H,7-8H2,(H,20,21)
InChIKeyCPAKGEWOCBFNNL-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.83
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide (PubChem CID 110372177) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide
PubChem CID110372177
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2nccs2)c1
InChIInChI=1S/C18H14N2O3S/c21-17(12-2-1-3-13(10-12)18-19-6-9-24-18)20-14-4-5-15-16(11-14)23-8-7-22-15/h1-6,9-11H,7-8H2,(H,20,21)
InChIKeyCPAKGEWOCBFNNL-UHFFFAOYSA-N
XLogP3.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 91497694
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 30158260
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-4-carboxamide
CID 103751678
N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71801661
3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795595
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943
N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9453653
3-(chloromethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 43333468
3-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]benzamide
CID 2220429
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816257
3-[6-(cyclohexylamino)pyrimidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 53009874
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46487765

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide (CID 110372177) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccc(-c2nccs2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide?
The InChIKey is CPAKGEWOCBFNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c21-17(12-2-1-3-13(10-12)18-19-6-9-24-18)20-14-4-5-15-16(11-14)23-8-7-22-15/h1-6,9-11H,7-8H2,(H,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide has a molecular weight of 338.39 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 110372177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).