2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine

C15H18N2OS — CID 106701037

IUPAC2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine
SMILESCc1nc(CNC2c3ccccc3OC2(C)C)cs1
InChIInChI=1S/C15H18N2OS/c1-10-17-11(9-19-10)8-16-14-12-6-4-5-7-13(12)18-15(14,2)3/h4-7,9,14,16H,8H2,1-3H3
InChIKeyDCPXWECBLHFUDN-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.45
Rot. Bonds3

About 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine

2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine (PubChem CID 106701037) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine
PubChem CID106701037
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine
SMILESCc1nc(CNC2c3ccccc3OC2(C)C)cs1
InChIInChI=1S/C15H18N2OS/c1-10-17-11(9-19-10)8-16-14-12-6-4-5-7-13(12)18-15(14,2)3/h4-7,9,14,16H,8H2,1-3H3
InChIKeyDCPXWECBLHFUDN-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-1-benzofuran-3-amine
CID 106701083
N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701067
N-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701215
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43183561
6-[(2,2-dimethyl-3H-1-benzofuran-3-yl)amino]hexan-1-ol
CID 107849705
N-(2-ethoxypropyl)-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701430
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxan-4-amine
CID 43609962
N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexanamine
CID 28780749
2,2-dimethyl-N-(4-methylpentan-2-yl)-3H-1-benzofuran-3-amine
CID 106700864
N-[(1-ethylpiperidin-4-yl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701076
1-(2-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 60664468
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,1-dioxothian-4-amine
CID 43615105

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine?
The IUPAC name of 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine (CID 106701037) is 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine?
The canonical SMILES for 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine is Cc1nc(CNC2c3ccccc3OC2(C)C)cs1.
What is the InChIKey of 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine?
The InChIKey is DCPXWECBLHFUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-17-11(9-19-10)8-16-14-12-6-4-5-7-13(12)18-15(14,2)3/h4-7,9,14,16H,8H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine?
2,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine has a molecular weight of 274.39 g/mol, XLogP of 3.45, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-1-benzofuran-3-amine is sourced from PubChem (CID 106701037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).