1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine

C14H16N2OS — CID 103700600

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ccc3c(c2)CCO3)s1
InChIInChI=1S/C14H16N2OS/c1-10-7-16-14(18-10)9-15-8-11-2-3-13-12(6-11)4-5-17-13/h2-3,6-7,15H,4-5,8-9H2,1H3
InChIKeyIXKVKRPDNNNLJF-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.68
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 103700600) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID103700600
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCc1cnc(CNCc2ccc3c(c2)CCO3)s1
InChIInChI=1S/C14H16N2OS/c1-10-7-16-14(18-10)9-15-8-11-2-3-13-12(6-11)4-5-17-13/h2-3,6-7,15H,4-5,8-9H2,1H3
InChIKeyIXKVKRPDNNNLJF-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine with MolForge

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Related Compounds

6-[[(5-methyl-1,3-thiazol-2-yl)methylamino]methyl]-4H-1,4-benzoxazin-3-one
CID 103278169
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954973
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 55037976
4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylaniline
CID 43804179
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 62196657
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102609948
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(5-methylthiophen-2-yl)ethanamine
CID 61473085
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904175
3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-2-methylpropane-1,2-diol
CID 66169664
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)hexan-1-amine
CID 43804174

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 103700600) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine is Cc1cnc(CNCc2ccc3c(c2)CCO3)s1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is IXKVKRPDNNNLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-7-16-14(18-10)9-15-8-11-2-3-13-12(6-11)4-5-17-13/h2-3,6-7,15H,4-5,8-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 260.36 g/mol, XLogP of 2.68, 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-5-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 103700600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).