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

C19H18ClNO3S — CID 2836276

IUPAC4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole;hydrochloride
SMILESCCOc1ccc(-c2nc(C3COc4ccccc4O3)cs2)cc1.Cl
InChIInChI=1S/C19H17NO3S.ClH/c1-2-21-14-9-7-13(8-10-14)19-20-15(12-24-19)18-11-22-16-5-3-4-6-17(16)23-18;/h3-10,12,18H,2,11H2,1H3;1H
InChIKeyHDAFGIHSJOVIOL-UHFFFAOYSA-N
MW375.88 g/mol
LogP5.14
Rot. Bonds4

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

4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole;hydrochloride (PubChem CID 2836276) has the molecular formula C19H18ClNO3S and a molecular weight of 375.88 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole;hydrochloride
PubChem CID2836276
Molecular FormulaC19H18ClNO3S
Molecular Weight375.88 g/mol
Exact Mass375.07
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole;hydrochloride
SMILESCCOc1ccc(-c2nc(C3COc4ccccc4O3)cs2)cc1.Cl
InChIInChI=1S/C19H17NO3S.ClH/c1-2-21-14-9-7-13(8-10-14)19-20-15(12-24-19)18-11-22-16-5-3-4-6-17(16)23-18;/h3-10,12,18H,2,11H2,1H3;1H
InChIKeyHDAFGIHSJOVIOL-UHFFFAOYSA-N
XLogP5.14
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.88
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-methylmethanamine
CID 39895302
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-6-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 989968
2,4-bis(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole;hydrochloride
CID 2836304
4-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(2-phenoxyethyl)-1,3-thiazol-2-amine
CID 128963219
2-[4-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 12005580
4-(2-bromophenyl)-2-(4-ethoxyphenyl)-1,3-thiazole
CID 2442244
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]methanamine
CID 55354062
2-(4-ethoxyphenyl)-1,3-thiazole-4-thiol
CID 116889638
N-[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3-thiazol-2-yl]formamide
CID 793118
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116888129
N-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 55387548
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 4789351

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole;hydrochloride (CID 2836276) is 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole;hydrochloride is CCOc1ccc(-c2nc(C3COc4ccccc4O3)cs2)cc1.Cl.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole;hydrochloride?
The InChIKey is HDAFGIHSJOVIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S.ClH/c1-2-21-14-9-7-13(8-10-14)19-20-15(12-24-19)18-11-22-16-5-3-4-6-17(16)23-18;/h3-10,12,18H,2,11H2,1H3;1H.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole;hydrochloride?
4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole;hydrochloride has a molecular weight of 375.88 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(4-ethoxyphenyl)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 2836276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).