N-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H16N2O3S — CID 3158817

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)C1COc2ccccc2O1
InChIInChI=1S/C19H16N2O3S/c22-18(17-12-23-15-8-4-5-9-16(15)24-17)21-19-20-11-14(25-19)10-13-6-2-1-3-7-13/h1-9,11,17H,10,12H2,(H,20,21,22)
InChIKeyMPIHDUJEZFCBAB-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.51
Rot. Bonds4

About N-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 3158817) has the molecular formula C19H16N2O3S and a molecular weight of 352.41 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID3158817
Molecular FormulaC19H16N2O3S
Molecular Weight352.41 g/mol
Exact Mass352.09
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(Nc1ncc(Cc2ccccc2)s1)C1COc2ccccc2O1
InChIInChI=1S/C19H16N2O3S/c22-18(17-12-23-15-8-4-5-9-16(15)24-17)21-19-20-11-14(25-19)10-13-6-2-1-3-7-13/h1-9,11,17H,10,12H2,(H,20,21,22)
InChIKeyMPIHDUJEZFCBAB-UHFFFAOYSA-N
XLogP3.51
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyridin-4-yl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 5056270
2-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2678077
1-[5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907698
N-(6-methyl-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
CID 3293415
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3909324
N-[5-[2-(dimethylamino)ethyl]-4-pyridin-4-yl-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 162644509
2-methyl-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2989515
N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 1143610
2-(4-bromophenoxy)-N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]acetamide
CID 1181170
2-Phenoxy-N-(5-(3-(trifluoromethyl)benzyl)-1,3-thiazol-2-YL)acetamide
CID 1183095
N-[5-(morpholin-4-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 162646123
N-[5-[(dimethylamino)methyl]-4-pyridin-3-yl-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 162659964

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 3158817) is N-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(Nc1ncc(Cc2ccccc2)s1)C1COc2ccccc2O1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is MPIHDUJEZFCBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-18(17-12-23-15-8-4-5-9-16(15)24-17)21-19-20-11-14(25-19)10-13-6-2-1-3-7-13/h1-9,11,17H,10,12H2,(H,20,21,22).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 3158817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).