1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine

C17H22N2OS — CID 61331355

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCO2)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)14-10-21-16(19-14)15(18-4)12-5-6-13-11(9-12)7-8-20-13/h5-6,9-10,15,18H,7-8H2,1-4H3
InChIKeyNKZUTBJPOSTULB-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.68
Rot. Bonds3

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine

1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine (PubChem CID 61331355) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
PubChem CID61331355
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CCO2)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H22N2OS/c1-17(2,3)14-10-21-16(19-14)15(18-4)12-5-6-13-11(9-12)7-8-20-13/h5-6,9-10,15,18H,7-8H2,1-4H3
InChIKeyNKZUTBJPOSTULB-UHFFFAOYSA-N
XLogP3.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine with MolForge

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43482586
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-2-pyridinyl)methanamine
CID 104542536
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
CID 103374293
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854608
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
[2,3-dihydro-1-benzofuran-5-yl-(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 105333879
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 114990712
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 79985787
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031866
1-(1-benzothiophen-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine
CID 61407015
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
N-[2,3-dihydro-1-benzofuran-5-yl(1,3-thiazol-2-yl)methyl]ethanamine
CID 61330790

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine (CID 61331355) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine is CNC(c1ccc2c(c1)CCO2)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
The InChIKey is NKZUTBJPOSTULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-17(2,3)14-10-21-16(19-14)15(18-4)12-5-6-13-11(9-12)7-8-20-13/h5-6,9-10,15,18H,7-8H2,1-4H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine has a molecular weight of 302.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 61331355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).