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

C13H12N2OS — CID 28665164

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
SMILESc1coc(CNCc2nc3ccccc3s2)c1
InChIInChI=1S/C13H12N2OS/c1-2-6-12-11(5-1)15-13(17-12)9-14-8-10-4-3-7-16-10/h1-7,14H,8-9H2
InChIKeyMZONIHRSDHLXHK-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.18
Rot. Bonds4

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

N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine (PubChem CID 28665164) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
PubChem CID28665164
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
SMILESc1coc(CNCc2nc3ccccc3s2)c1
InChIInChI=1S/C13H12N2OS/c1-2-6-12-11(5-1)15-13(17-12)9-14-8-10-4-3-7-16-10/h1-7,14H,8-9H2
InChIKeyMZONIHRSDHLXHK-UHFFFAOYSA-N
XLogP3.18
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methylfuran-2-yl)methanamine
CID 28665172
1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine
CID 28665559
N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
CID 61283669
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 2360405
1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53273448
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 87033245
N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65243812
2-[2-chloro-4-(furan-2-yl)butyl]-1,3-benzothiazole
CID 66458933
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
CID 106398409
N-(1,3-benzothiazol-2-ylmethyl)-2-phenylethanamine
CID 28665156
methyl 3-[(1,3-benzothiazol-2-ylmethylamino)methyl]furan-2-carboxylate
CID 43425041
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-(furan-2-yl)methanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine (CID 28665164) is N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine is c1coc(CNCc2nc3ccccc3s2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine?
The InChIKey is MZONIHRSDHLXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-2-6-12-11(5-1)15-13(17-12)9-14-8-10-4-3-7-16-10/h1-7,14H,8-9H2.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine?
N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine has a molecular weight of 244.32 g/mol, XLogP of 3.18, 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-(furan-2-yl)methanamine is sourced from PubChem (CID 28665164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).