2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine

C15H18N2OS — CID 106701188

IUPAC2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine
SMILESCC(NC1c2ccccc2OC1(C)C)c1nccs1
InChIInChI=1S/C15H18N2OS/c1-10(14-16-8-9-19-14)17-13-11-6-4-5-7-12(11)18-15(13,2)3/h4-10,13,17H,1-3H3
InChIKeyCIQDFAUWMXLCOQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.71
Rot. Bonds3

About 2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine

2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine (PubChem CID 106701188) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine
PubChem CID106701188
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine
SMILESCC(NC1c2ccccc2OC1(C)C)c1nccs1
InChIInChI=1S/C15H18N2OS/c1-10(14-16-8-9-19-14)17-13-11-6-4-5-7-12(11)18-15(13,2)3/h4-10,13,17H,1-3H3
InChIKeyCIQDFAUWMXLCOQ-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-3H-1-benzofuran-3-amine
CID 106282446
2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
CID 106700864
N-[(1R)-1-(3-chlorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701301
2,2-dimethyl-N-(1-thiophen-2-ylpropyl)-3H-1-benzofuran-3-amine
CID 106701059
N-[1-(3-fluorophenyl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106700810
6-chloro-2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroinden-1-amine
CID 83066795
2,2-dimethyl-N-(4-methylhexan-2-yl)-3H-1-benzofuran-3-amine
CID 106701222
methyl (2S)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-3-methylbutanoate
CID 106700921
7,7-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864698
(2R)-2-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]-2-phenylethanol
CID 107862702
2,2,6,6-tetramethyl-N-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 64988734
N-[1-(1,3-thiazol-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
CID 130941268

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine?
The IUPAC name of 2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine (CID 106701188) is 2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine is CC(NC1c2ccccc2OC1(C)C)c1nccs1.
What is the InChIKey of 2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine?
The InChIKey is CIQDFAUWMXLCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10(14-16-8-9-19-14)17-13-11-6-4-5-7-12(11)18-15(13,2)3/h4-10,13,17H,1-3H3.
What are the key properties of 2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine?
2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine has a molecular weight of 274.39 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).