2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride

C19H16ClNO4S — CID 2836304

IUPAC2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride
SMILESCl.c1ccc2c(c1)OCC(c1csc(C3COc4ccccc4O3)n1)O2
InChIInChI=1S/C19H15NO4S.ClH/c1-3-7-15-13(5-1)21-9-17(23-15)12-11-25-19(20-12)18-10-22-14-6-2-4-8-16(14)24-18;/h1-8,11,17-18H,9-10H2;1H
InChIKeyCHEMBIRUPSGKBD-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.59
Rot. Bonds2

About 2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride

2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride (PubChem CID 2836304) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is 2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride
PubChem CID2836304
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride
SMILESCl.c1ccc2c(c1)OCC(c1csc(C3COc4ccccc4O3)n1)O2
InChIInChI=1S/C19H15NO4S.ClH/c1-3-7-15-13(5-1)21-9-17(23-15)12-11-25-19(20-12)18-10-22-14-6-2-4-8-16(14)24-18;/h1-8,11,17-18H,9-10H2;1H
InChIKeyCHEMBIRUPSGKBD-UHFFFAOYSA-N
XLogP4.59
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(chloromethyl)-2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole
CID 65351203
2-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 12005580
2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]acetonitrile
CID 65352137
N-[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3-thiazol-2-yl]formamide
CID 793118
4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole;hydrochloride
CID 2836276
4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-phenoxyethyl)-1,3-thiazol-2-amine
CID 128963219
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-iodo-1,3,4-thiadiazole
CID 63383797
S-(furan-2-ylmethyl) 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carbothioate
CID 2821637
N-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 45131251
1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 65352108
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422699
4-bromo-6-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]pyrimidine
CID 129498299

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride?
The IUPAC name of 2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride (CID 2836304) is 2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride is Cl.c1ccc2c(c1)OCC(c1csc(C3COc4ccccc4O3)n1)O2.
What is the InChIKey of 2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride?
The InChIKey is CHEMBIRUPSGKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S.ClH/c1-3-7-15-13(5-1)21-9-17(23-15)12-11-25-19(20-12)18-10-22-14-6-2-4-8-16(14)24-18;/h1-8,11,17-18H,9-10H2;1H.
What are the key properties of 2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride?
2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride has a molecular weight of 389.86 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 2836304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).