1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol

C15H18N2O3S — CID 47053354

IUPAC1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
SMILESCc1ncc(CN(C)CC(O)c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C15H18N2O3S/c1-10-16-6-12(21-10)7-17(2)8-13(18)11-3-4-14-15(5-11)20-9-19-14/h3-6,13,18H,7-9H2,1-2H3
InChIKeyNTUJRNJOTYZVMJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.35
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol

1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol (PubChem CID 47053354) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
PubChem CID47053354
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol
SMILESCc1ncc(CN(C)CC(O)c2ccc3c(c2)OCO3)s1
InChIInChI=1S/C15H18N2O3S/c1-10-16-6-12(21-10)7-17(2)8-13(18)11-3-4-14-15(5-11)20-9-19-14/h3-6,13,18H,7-9H2,1-2H3
InChIKeyNTUJRNJOTYZVMJ-UHFFFAOYSA-N
XLogP2.35
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]ethanol
CID 61280625
1-(1,3-benzodioxol-5-yl)-2-[cyclopropyl(methyl)amino]ethanol
CID 54948756
1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanol
CID 54948959
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 94032091
1-(1,3-benzodioxol-5-yl)-2-[methyl(pentan-2-yl)amino]ethanol
CID 54949004
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[furan-3-ylmethyl(methyl)amino]ethanol
CID 94455731
1,3-benzodioxol-5-yl(trimethylsilyl)methanol
CID 12705761
(1R)-1-(1,3-benzodioxol-5-yl)-2-chloroethanol
CID 93182688
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]propanamide
CID 94135740
1-(1,3-benzodioxol-5-yl)-2-[(5-methylpyrazin-2-yl)methylamino]ethanol
CID 62846276
1,3-benzodioxol-5-yl(dimethylamino)methanol
CID 116909534

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol (CID 47053354) is 1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol is Cc1ncc(CN(C)CC(O)c2ccc3c(c2)OCO3)s1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol?
The InChIKey is NTUJRNJOTYZVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-16-6-12(21-10)7-17(2)8-13(18)11-3-4-14-15(5-11)20-9-19-14/h3-6,13,18H,7-9H2,1-2H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol?
1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol has a molecular weight of 306.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 47053354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).