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

C18H23N3OS — CID 77091114

IUPAC1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCN(Cc1cnc(N2CCCC2)s1)CC1Cc2ccccc2O1
InChIInChI=1S/C18H23N3OS/c1-20(12-15-10-14-6-2-3-7-17(14)22-15)13-16-11-19-18(23-16)21-8-4-5-9-21/h2-3,6-7,11,15H,4-5,8-10,12-13H2,1H3
InChIKeyFJEKLCHZPHIXQC-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.18
Rot. Bonds5

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

1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 77091114) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID77091114
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCN(Cc1cnc(N2CCCC2)s1)CC1Cc2ccccc2O1
InChIInChI=1S/C18H23N3OS/c1-20(12-15-10-14-6-2-3-7-17(14)22-15)13-16-11-19-18(23-16)21-8-4-5-9-21/h2-3,6-7,11,15H,4-5,8-10,12-13H2,1H3
InChIKeyFJEKLCHZPHIXQC-UHFFFAOYSA-N
XLogP3.18
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 99819545
1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 99819546
1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-methyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 125176993
3-[methyl-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]amino]propane-1,2-diol
CID 77095416
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylmethanamine
CID 91843062
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methylmethanamine
CID 99956270
5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897770
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79651888
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 131901755
3-[[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]methyl]aniline
CID 66365541
1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 25294250

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine (CID 77091114) is 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine is CN(Cc1cnc(N2CCCC2)s1)CC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is FJEKLCHZPHIXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-20(12-15-10-14-6-2-3-7-17(14)22-15)13-16-11-19-18(23-16)21-8-4-5-9-21/h2-3,6-7,11,15H,4-5,8-10,12-13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine?
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 329.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 77091114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).