N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine

C15H16N2OS — CID 106887601

IUPACN-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1Cc1nc2ccccc2s1
InChIInChI=1S/C15H16N2OS/c1-2-16-10-13-11(7-8-18-13)9-15-17-12-5-3-4-6-14(12)19-15/h3-8,16H,2,9-10H2,1H3
InChIKeyWDOIYFYPSKMEQL-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.59
Rot. Bonds5

About N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine

N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine (PubChem CID 106887601) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine
PubChem CID106887601
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1Cc1nc2ccccc2s1
InChIInChI=1S/C15H16N2OS/c1-2-16-10-13-11(7-8-18-13)9-15-17-12-5-3-4-6-14(12)19-15/h3-8,16H,2,9-10H2,1H3
InChIKeyWDOIYFYPSKMEQL-UHFFFAOYSA-N
XLogP3.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine with MolForge

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Related Compounds

methyl 3-[(1,3-benzothiazol-2-ylmethylamino)methyl]furan-2-carboxylate
CID 43425041
N-[[1-(1,3-benzothiazol-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
CID 106718699
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-[[1-(1,3-benzothiazol-2-ylmethyl)-3-methylpyrazol-4-yl]methyl]ethanamine
CID 104632133
N-[[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]methyl]ethanamine
CID 104630931
N-(1,3-benzothiazol-2-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60672956
N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
CID 28665164
2-(1,3-benzothiazol-2-ylmethyl)aniline
CID 62534023
5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
CID 79819322
1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 65111068
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657
6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine
CID 79818277

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine (CID 106887601) is N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine is CCNCc1occc1Cc1nc2ccccc2s1.
What is the InChIKey of N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is WDOIYFYPSKMEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-16-10-13-11(7-8-18-13)9-15-17-12-5-3-4-6-14(12)19-15/h3-8,16H,2,9-10H2,1H3.
What are the key properties of N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine?
N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 272.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 106887601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).