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

C17H14N2OS — CID 28665559

IUPAC1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine
SMILESc1ccc2oc(CNCc3nc4ccccc4s3)cc2c1
InChIInChI=1S/C17H14N2OS/c1-3-7-15-12(5-1)9-13(20-15)10-18-11-17-19-14-6-2-4-8-16(14)21-17/h1-9,18H,10-11H2
InChIKeyZTIMVQYPQBVRCE-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.33
Rot. Bonds4

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

1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine (PubChem CID 28665559) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine
PubChem CID28665559
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine
SMILESc1ccc2oc(CNCc3nc4ccccc4s3)cc2c1
InChIInChI=1S/C17H14N2OS/c1-3-7-15-12(5-1)9-13(20-15)10-18-11-17-19-14-6-2-4-8-16(14)21-17/h1-9,18H,10-11H2
InChIKeyZTIMVQYPQBVRCE-UHFFFAOYSA-N
XLogP4.33
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.33
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
N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
CID 28665164
N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65243812
N-(1-benzofuran-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 28669225
N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
CID 61283669
3-[(1,3-benzothiazol-2-ylmethylamino)methyl]phenol
CID 28665440
4-[(1,3-benzothiazol-2-ylmethylamino)methyl]benzene-1,3-diol
CID 28665229
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-(2,4-difluorophenyl)methanamine
CID 28665051
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,5-dimethylphenyl)methanamine
CID 60669491
N-(1,3-benzothiazol-2-ylmethyl)-2-phenylethanamine
CID 28665156
1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 55172060

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine (CID 28665559) is 1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine is c1ccc2oc(CNCc3nc4ccccc4s3)cc2c1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine?
The InChIKey is ZTIMVQYPQBVRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-3-7-15-12(5-1)9-13(20-15)10-18-11-17-19-14-6-2-4-8-16(14)21-17/h1-9,18H,10-11H2.
What are the key properties of 1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine?
1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine has a molecular weight of 294.38 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 28665559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).