N-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine

C13H14N2O3S — CID 116812081

IUPACN-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(-c2cc(OC)c3c(c2)OCO3)s1
InChIInChI=1S/C13H14N2O3S/c1-3-14-13-15-6-11(19-13)8-4-9(16-2)12-10(5-8)17-7-18-12/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyXOLKZCPVGCYRAD-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.98
Rot. Bonds4

About N-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine

N-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine (PubChem CID 116812081) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine
PubChem CID116812081
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine
SMILESCCNc1ncc(-c2cc(OC)c3c(c2)OCO3)s1
InChIInChI=1S/C13H14N2O3S/c1-3-14-13-15-6-11(19-13)8-4-9(16-2)12-10(5-8)17-7-18-12/h4-6H,3,7H2,1-2H3,(H,14,15)
InChIKeyXOLKZCPVGCYRAD-UHFFFAOYSA-N
XLogP2.98
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 116811972
5-(3,5-dichlorophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116812059
5-(7-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117337654
5-(1,3-benzodioxol-5-yloxymethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79775055
2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-1,2-thiazol-3-yl]benzenethiol
CID 90824771
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103460586
2-(7-methoxy-1,3-benzodioxol-5-yl)-1-(4-pyrazol-1-ylbutan-2-yl)imidazole
CID 56872081
5-(7-methoxy-1,3-benzodioxol-5-yl)-4-pyrimidin-5-yl-1,2-oxazole
CID 58178077
N-[2-(7-methoxy-1,3-benzodioxol-5-yl)ethyl]-2-methylpropan-1-amine
CID 113480979
2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]aniline
CID 59430123
1-(1,3-benzodioxol-5-yl)-N-[[5-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53271868
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115592517

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine (CID 116812081) is N-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine is CCNc1ncc(-c2cc(OC)c3c(c2)OCO3)s1.
What is the InChIKey of N-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is XOLKZCPVGCYRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-14-13-15-6-11(19-13)8-4-9(16-2)12-10(5-8)17-7-18-12/h4-6H,3,7H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine?
N-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 278.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(7-methoxy-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 116812081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).