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

C14H14N2OS — CID 43682683

IUPACN-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NC(C)c3ccco3)cc2s1
InChIInChI=1S/C14H14N2OS/c1-9(13-4-3-7-17-13)15-11-5-6-12-14(8-11)18-10(2)16-12/h3-9,15H,1-2H3
InChIKeyYKSGMNZZBMWJIW-UHFFFAOYSA-N
MW258.35 g/mol
LogP4.37
Rot. Bonds3

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

N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine (PubChem CID 43682683) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
PubChem CID43682683
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
SMILESCc1nc2ccc(NC(C)c3ccco3)cc2s1
InChIInChI=1S/C14H14N2OS/c1-9(13-4-3-7-17-13)15-11-5-6-12-14(8-11)18-10(2)16-12/h3-9,15H,1-2H3
InChIKeyYKSGMNZZBMWJIW-UHFFFAOYSA-N
XLogP4.37
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682628
2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-benzothiazol-6-amine
CID 47155576
2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
CID 103388112
N-[1-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682691
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682
N-[1-(2,4-dichlorophenyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43682693
(2R)-N-(4-acetamidophenyl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propanamide
CID 32736753
N-[(1S)-1-(3-fluoro-4-pyridinyl)ethyl]-2-methyl-1,3-benzothiazol-6-amine
CID 124735773
5-fluoro-2-[1-[(2-methyl-1,3-benzothiazol-6-yl)amino]ethyl]phenol
CID 63064121
(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 6214246
(2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]propan-1-one
CID 36598546
2-methyl-N-(1-phenylbutan-2-yl)-1,3-benzothiazol-6-amine
CID 79008754

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
The IUPAC name of N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine (CID 43682683) is N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine is Cc1nc2ccc(NC(C)c3ccco3)cc2s1.
What is the InChIKey of N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
The InChIKey is YKSGMNZZBMWJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-9(13-4-3-7-17-13)15-11-5-6-12-14(8-11)18-10(2)16-12/h3-9,15H,1-2H3.
What are the key properties of N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine?
N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine has a molecular weight of 258.35 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)ethyl]-2-methyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 43682683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).