N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine

C15H18N2O2S — CID 43202763

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCc2ccc3c(c2)OCO3)c(C)s1
InChIInChI=1S/C15H18N2O2S/c1-9(15-10(2)20-11(3)17-15)16-7-12-4-5-13-14(6-12)19-8-18-13/h4-6,9,16H,7-8H2,1-3H3
InChIKeyNIFGYKJZVGWTLD-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.34
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine

N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 43202763) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
PubChem CID43202763
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NCc2ccc3c(c2)OCO3)c(C)s1
InChIInChI=1S/C15H18N2O2S/c1-9(15-10(2)20-11(3)17-15)16-7-12-4-5-13-14(6-12)19-8-18-13/h4-6,9,16H,7-8H2,1-3H3
InChIKeyNIFGYKJZVGWTLD-UHFFFAOYSA-N
XLogP3.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(1,3-benzodioxol-5-ylmethylamino)ethyl]phenol
CID 43202737
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)ethanamine
CID 43181438
(1R)-N-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-2-ylethanamine
CID 28649895
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-bromothiophen-2-yl)ethanamine
CID 43767444
1-(1,3-benzodioxol-5-yl)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 79016741
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine
CID 43767433
(1S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 28649877
N-(1,3-benzodioxol-5-ylmethyl)-1-(1-ethylpyrazol-3-yl)ethanamine
CID 19625181
3-(1,3-benzodioxol-5-ylmethylamino)-2-methylbutan-2-ol
CID 65332790
3-(1,3-benzodioxol-5-ylmethylamino)butanenitrile
CID 62906978
N-(1,3-benzodioxol-5-ylmethyl)-4,4,4-trifluorobutan-2-amine
CID 103775477
N-(1,3-benzodioxol-5-ylmethyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 133365786

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine (CID 43202763) is N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(C)NCc2ccc3c(c2)OCO3)c(C)s1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is NIFGYKJZVGWTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9(15-10(2)20-11(3)17-15)16-7-12-4-5-13-14(6-12)19-8-18-13/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 290.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 43202763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).