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

C13H14N2OS — CID 62998098

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1ccc2c(c1)CC(CNCc1nccs1)O2
InChIInChI=1S/C13H14N2OS/c1-2-4-12-10(3-1)7-11(16-12)8-14-9-13-15-5-6-17-13/h1-6,11,14H,7-9H2
InChIKeyXFCKPLRBIKXSJS-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.24
Rot. Bonds4

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

1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 62998098) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID62998098
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1ccc2c(c1)CC(CNCc1nccs1)O2
InChIInChI=1S/C13H14N2OS/c1-2-4-12-10(3-1)7-11(16-12)8-14-9-13-15-5-6-17-13/h1-6,11,14H,7-9H2
InChIKeyXFCKPLRBIKXSJS-UHFFFAOYSA-N
XLogP2.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 19063201
N-[(5-bromothiophen-2-yl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 54895688
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 61004039
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-iodoethanamine
CID 114505487
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106371585
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 62338719
5-[(2,3-dihydro-1-benzofuran-2-ylmethylamino)methyl]thiophene-2-carbonitrile
CID 115675503
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]propan-1-amine
CID 51885405
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 63050382
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54895787
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 62998098) is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is c1ccc2c(c1)CC(CNCc1nccs1)O2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is XFCKPLRBIKXSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-4-12-10(3-1)7-11(16-12)8-14-9-13-15-5-6-17-13/h1-6,11,14H,7-9H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 246.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 62998098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).