N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine

C16H18N2O2S — CID 79513905

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC(C)c3cc(C)oc3C)sc2c1
InChIInChI=1S/C16H18N2O2S/c1-9-7-13(11(3)20-9)10(2)17-16-18-14-6-5-12(19-4)8-15(14)21-16/h5-8,10H,1-4H3,(H,17,18)
InChIKeyVZBCNEWMMDUUBA-UHFFFAOYSA-N
MW302.40 g/mol
LogP4.69
Rot. Bonds4

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine (PubChem CID 79513905) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
PubChem CID79513905
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1ccc2nc(NC(C)c3cc(C)oc3C)sc2c1
InChIInChI=1S/C16H18N2O2S/c1-9-7-13(11(3)20-9)10(2)17-16-18-14-6-5-12(19-4)8-15(14)21-16/h5-8,10H,1-4H3,(H,17,18)
InChIKeyVZBCNEWMMDUUBA-UHFFFAOYSA-N
XLogP4.69
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142593
6-methoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 78908950
N-[1-(3-fluorophenyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79516719
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,5-dimethoxyaniline
CID 43121263
2-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazine-2,5-diamine
CID 80653006
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
CID 66241808
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-sulfanylpropanamide
CID 107020679
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79516240
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
6-methoxy-N-(2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79018404
dimethyl 2-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-thiophen-2-ylmethyl]propanedioate
CID 56590326
N-propan-2-yl-6-(trifluoromethoxy)-1,3-benzothiazol-2-amine
CID 118215837

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine (CID 79513905) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine is COc1ccc2nc(NC(C)c3cc(C)oc3C)sc2c1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is VZBCNEWMMDUUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-9-7-13(11(3)20-9)10(2)17-16-18-14-6-5-12(19-4)8-15(14)21-16/h5-8,10H,1-4H3,(H,17,18).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 302.40 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79513905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).