2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine

C16H18N2OS — CID 105171738

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1ccc2oc(C(N)Cc3nc(C)c(C)s3)cc2c1
InChIInChI=1S/C16H18N2OS/c1-9-4-5-14-12(6-9)7-15(19-14)13(17)8-16-18-10(2)11(3)20-16/h4-7,13H,8,17H2,1-3H3
InChIKeyBMWWWAHXCVSDOY-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.06
Rot. Bonds3

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 105171738) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID105171738
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1ccc2oc(C(N)Cc3nc(C)c(C)s3)cc2c1
InChIInChI=1S/C16H18N2OS/c1-9-4-5-14-12(6-9)7-15(19-14)13(17)8-16-18-10(2)11(3)20-16/h4-7,13H,8,17H2,1-3H3
InChIKeyBMWWWAHXCVSDOY-UHFFFAOYSA-N
XLogP4.06
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
[1-(5-methyl-1-benzofuran-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105214131
1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019614
[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105326726
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
(4-bromo-5-methylthiophen-2-yl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 102829575
(5-methyl-1-benzofuran-2-yl)-(3-methylthiophen-2-yl)methanamine
CID 63993046
(2,6-dimethyl-3-pyridinyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105185391
4-methyl-1-(5-methyl-1-benzofuran-2-yl)pent-4-en-1-amine
CID 105182549
1-(5-methyl-1-benzofuran-2-yl)-3-methylidenepentan-1-amine
CID 105163947
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine (CID 105171738) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine is Cc1ccc2oc(C(N)Cc3nc(C)c(C)s3)cc2c1.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is BMWWWAHXCVSDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-9-4-5-14-12(6-9)7-15(19-14)13(17)8-16-18-10(2)11(3)20-16/h4-7,13H,8,17H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 286.40 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(5-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 105171738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).