N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine

C14H14N2OS — CID 28665172

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCc2nc3ccccc3s2)o1
InChIInChI=1S/C14H14N2OS/c1-10-6-7-11(17-10)8-15-9-14-16-12-4-2-3-5-13(12)18-14/h2-7,15H,8-9H2,1H3
InChIKeyVPPHZEYCQVMYIT-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.49
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine

N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine (PubChem CID 28665172) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
PubChem CID28665172
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
SMILESCc1ccc(CNCc2nc3ccccc3s2)o1
InChIInChI=1S/C14H14N2OS/c1-10-6-7-11(17-10)8-15-9-14-16-12-4-2-3-5-13(12)18-14/h2-7,15H,8-9H2,1H3
InChIKeyVPPHZEYCQVMYIT-UHFFFAOYSA-N
XLogP3.49
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
CID 28665164
1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine
CID 28665559
N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65243812
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 106398409
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 28781462
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,5-dimethylphenyl)methanamine
CID 60669491
N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
CID 61283669
2-(1,3-benzothiazol-2-yl)-N-[(5-nitrofuran-2-yl)methyl]ethanamine
CID 43768179
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine
CID 82834430
N-(1,3-benzothiazol-2-ylmethyl)-2-phenylethanamine
CID 28665156
3-[(1,3-benzothiazol-2-ylmethylamino)methyl]phenol
CID 28665440
4-[(1,3-benzothiazol-2-ylmethylamino)methyl]benzene-1,3-diol
CID 28665229

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine (CID 28665172) is N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine is Cc1ccc(CNCc2nc3ccccc3s2)o1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is VPPHZEYCQVMYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10-6-7-11(17-10)8-15-9-14-16-12-4-2-3-5-13(12)18-14/h2-7,15H,8-9H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine?
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 258.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 28665172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).