1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine

C16H18N2OS — CID 61337489

IUPAC1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C16H18N2OS/c1-16(2,3)14(17)15-18-11(9-20-15)13-8-10-6-4-5-7-12(10)19-13/h4-9,14H,17H2,1-3H3
InChIKeyPGOUPXOTXQADQH-UHFFFAOYSA-N
MW286.40 g/mol
LogP4.60
Rot. Bonds2

About 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine

1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine (PubChem CID 61337489) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
PubChem CID61337489
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1nc(-c2cc3ccccc3o2)cs1
InChIInChI=1S/C16H18N2OS/c1-16(2,3)14(17)15-18-11(9-20-15)13-8-10-6-4-5-7-12(10)19-13/h4-9,14H,17H2,1-3H3
InChIKeyPGOUPXOTXQADQH-UHFFFAOYSA-N
XLogP4.60
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62921982
(1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 103832707
4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline
CID 43667812
2-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 62543895
1-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61337689
4-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole
CID 32500831
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61339037
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983781
6-(1-benzofuran-2-yl)-2-propan-2-ylpyridine-3-carboxylic acid
CID 116533402
1-[4-(3-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 55130311
1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine
CID 114733291

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine (CID 61337489) is 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1nc(-c2cc3ccccc3o2)cs1.
What is the InChIKey of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
The InChIKey is PGOUPXOTXQADQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-16(2,3)14(17)15-18-11(9-20-15)13-8-10-6-4-5-7-12(10)19-13/h4-9,14H,17H2,1-3H3.
What are the key properties of 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine?
1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine has a molecular weight of 286.40 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61337489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).