1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

C14H16N2OS — CID 79226667

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCC2COc3ccccc32)n1
InChIInChI=1S/C14H16N2OS/c1-10-9-18-14(16-10)7-15-6-11-8-17-13-5-3-2-4-12(11)13/h2-5,9,11,15H,6-8H2,1H3
InChIKeyBCOZHIQHTBOSSK-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.72
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine

1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 79226667) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID79226667
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1csc(CNCC2COc3ccccc32)n1
InChIInChI=1S/C14H16N2OS/c1-10-9-18-14(16-10)7-15-6-11-8-17-13-5-3-2-4-12(11)13/h2-5,9,11,15H,6-8H2,1H3
InChIKeyBCOZHIQHTBOSSK-UHFFFAOYSA-N
XLogP2.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 79226899
1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 114111090
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
N-(1,3-benzodioxol-4-ylmethyl)-1-(2,3-dihydro-1-benzofuran-3-yl)methanamine
CID 79218764
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973
4-[(2,3-dihydro-1-benzofuran-3-ylmethylamino)methyl]benzonitrile
CID 79226666
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149232
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94030335
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
3-(2,3-dihydro-1-benzofuran-3-ylmethylamino)-2-methylpropane-1,2-diol
CID 79226361
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 79226667) is 1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is Cc1csc(CNCC2COc3ccccc32)n1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is BCOZHIQHTBOSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-9-18-14(16-10)7-15-6-11-8-17-13-5-3-2-4-12(11)13/h2-5,9,11,15H,6-8H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(2,3-dihydro-1-benzofuran-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 260.36 g/mol, XLogP of 2.72, 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-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 79226667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).