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

C16H18N2OS — CID 79142593

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC(C)c3cc(C)oc3C)sc2c1
InChIInChI=1S/C16H18N2OS/c1-9-5-6-14-15(7-9)20-16(18-14)17-11(3)13-8-10(2)19-12(13)4/h5-8,11H,1-4H3,(H,17,18)
InChIKeyKQEOIOSBSDXEBC-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.99
Rot. Bonds3

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

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 79142593) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
PubChem CID79142593
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC(C)c3cc(C)oc3C)sc2c1
InChIInChI=1S/C16H18N2OS/c1-9-5-6-14-15(7-9)20-16(18-14)17-11(3)13-8-10(2)19-12(13)4/h5-8,11H,1-4H3,(H,17,18)
InChIKeyKQEOIOSBSDXEBC-UHFFFAOYSA-N
XLogP4.99
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 79513905
6-methyl-N-(1-phenylethyl)-1,3-benzothiazol-2-amine
CID 78908879
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142758
6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
CID 79142414
N-(3-ethylpentan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143180
N-(1-methoxybutan-2-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 79143101
2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 79143008
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-benzothiazole-2,6-diamine
CID 106387621
6-chloro-N-[1-(2-methylphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 79525014
6-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906848
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,3-benzothiazol-2-amine
CID 66241808

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine (CID 79142593) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine is Cc1ccc2nc(NC(C)c3cc(C)oc3C)sc2c1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is KQEOIOSBSDXEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-9-5-6-14-15(7-9)20-16(18-14)17-11(3)13-8-10(2)19-12(13)4/h5-8,11H,1-4H3,(H,17,18).
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 286.40 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79142593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).