1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine

C19H20N2O3S — CID 51114822

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESCc1ccc(-c2nc(CN(C)Cc3ccc4c(c3)OCCO4)cs2)o1
InChIInChI=1S/C19H20N2O3S/c1-13-3-5-17(24-13)19-20-15(12-25-19)11-21(2)10-14-4-6-16-18(9-14)23-8-7-22-16/h3-6,9,12H,7-8,10-11H2,1-2H3
InChIKeyUIUZBUSFCQFVDG-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.11
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine (PubChem CID 51114822) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
PubChem CID51114822
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
SMILESCc1ccc(-c2nc(CN(C)Cc3ccc4c(c3)OCCO4)cs2)o1
InChIInChI=1S/C19H20N2O3S/c1-13-3-5-17(24-13)19-20-15(12-25-19)11-21(2)10-14-4-6-16-18(9-14)23-8-7-22-16/h3-6,9,12H,7-8,10-11H2,1-2H3
InChIKeyUIUZBUSFCQFVDG-UHFFFAOYSA-N
XLogP4.11
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine with MolForge

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Related Compounds

2-methyl-3-[methyl-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]amino]propanenitrile
CID 47395660
N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 86929371
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 155946190
(2R)-1-[N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]anilino]propan-2-ol
CID 52537591
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanethiol
CID 116889582
(3R)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-1,1-dioxothiolan-3-amine
CID 36949347
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 56811259
7-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17400460
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmethanamine
CID 78789134
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 46534858
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-ethyl-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109423244

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine (CID 51114822) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine is Cc1ccc(-c2nc(CN(C)Cc3ccc4c(c3)OCCO4)cs2)o1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
The InChIKey is UIUZBUSFCQFVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-3-5-17(24-13)19-20-15(12-25-19)11-21(2)10-14-4-6-16-18(9-14)23-8-7-22-16/h3-6,9,12H,7-8,10-11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine has a molecular weight of 356.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine is sourced from PubChem (CID 51114822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).